SCHEMBL1912754

SCHEMBL1912754

Cc1cc(CC(C)(C)C)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DAO P14920 1/20 0.41
MMP13 P45452 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MPO P05164 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
ACHE P22303 1/20 0.34
THRA P10827 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL564275 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DAOMMP13
SCHEMBL1912677 0.83 ESR1 (0.43) ESR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL73649 0.83 ESR1 (0.46) ESR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL16592142 0.81 LMNA (0.48) ESR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL26166968 0.78 PTGES2 (0.44) DAOMMP13HDAC3HDAC1HDAC2
SCHEMBL17971122 0.78 ESR1 (0.54) ESR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL13905164 0.78 CYP1A2 (0.47) ESR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL2600030 0.78 CNR2 (0.43) ESR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL8349643 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3DAOMMP13
SCHEMBL2600031 0.76 PTPN7 (0.47) ESR1PTPN7DUSP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20220081408-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE SHAANXI LTMS OPTOELECTRONICS MATERIAL CO. LTD. (CN) 2022-03-17 US disclosed
US-11090325-B2 Compositions for treating ebola virus infection REDHILL BIOPHARMA LTD. (IL) 2021-08-17 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION REDHILL BIOPHARMA LTD (IL) 2020-05-21 US disclosed
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-9944628-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-17 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 US disclosed
US-9499521-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-22 US disclosed
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 US disclosed
US-20150232484-A1 FUSED THIAZIN-3-ONES AS KCA3.1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-20 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ESR1 2214/4885SLC6A2 4223/4885SLC6A4 3595/4885
US-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ESR1 1143/4885SLC6A2 3871/4885SLC6A4 2897/4885
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS RIPK3, RIPK1, RIPK4 ESR1 2923/4885SLC6A2 4882/4885SLC6A4 4647/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 ESR1 2923/4885SLC6A2 4882/4885SLC6A4 4647/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ESR1 4268/4885SLC6A2 4731/4885SLC6A4 4698/4885
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 ESR1 4388/4885SLC6A2 1118/4885SLC6A4 2491/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ESR1 1594/4885SLC6A2 204/4885SLC6A4 211/4885
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION NEFM, EIF2AK2, IRF3 ESR1 4810/4885SLC6A2 1710/4885SLC6A4 3033/4885
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 ESR1 4388/4885SLC6A2 1118/4885SLC6A4 2491/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 ESR1 3881/4885SLC6A2 2458/4885SLC6A4 2236/4885
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 ESR1 9/4885SLC6A2 1929/4885SLC6A4 2231/4885
US-20220081408-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE NOS1, PRMT1, MNS1 ESR1 9/4885SLC6A2 1929/4885SLC6A4 2231/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ESR1 3826/4885SLC6A2 677/4885SLC6A4 1386/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 ESR1 4482/4885SLC6A2 4471/4885SLC6A4 4681/4885
US-20150232484-A1 FUSED THIAZIN-3-ONES AS KCA3.1 INHIBITORS KCNA3, KCNK3, KCNN3 ESR1 2967/4885SLC6A2 735/4885SLC6A4 500/4885
US-11090325-B2 Compositions for treating ebola virus infection NEFM, EIF2AK2, IRF3 ESR1 4810/4885SLC6A2 1710/4885SLC6A4 3033/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.