SCHEMBL820257

SCHEMBL820257

OBOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOB P27338 5/20 0.40
AOC3 Q16853 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.38

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
Toluene SCHEMBL28323390 0.86 TSHR (0.42) KIF11TRPV6ALDH1A1TSHR
SCHEMBL204711 0.81 CA1 (0.47) KIF11CA1CA2CA9CES2
SCHEMBL14477632 0.80 MEN1 (0.33) CA1CA2CA9
SCHEMBL819920 0.79 MAPT (0.48) CA1CA2CA9ALDH1A1MAOB
SCHEMBL5541013 0.77 MAPT (0.47) ALDH1A1MAOBAOC3TRPV1TSHR
SCHEMBL4457498 0.77 CES2 (0.41) CES2
SCHEMBL28302381 0.77 KIF11 (0.55) KIF11CES2CES1ORAI1ORAI2
SCHEMBL121487 0.75 KDM4E (0.46) CES2MGLLMAOBAOC3TSHR
SCHEMBL28829987 0.74 TSHR (0.52) KIF11CA1CA2CA9TRPV6
SCHEMBL16578067 0.73 KIF11 (0.48) KIF11CA1CA2CA9CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024536-B2 C-terminal HSP90 inhibitors UNIVERSITY OF KANSAS (US) 2024-07-02 US disclosed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20230279016-A1 Tetrahydropyrazolopyrimidines and Related Analogs for Inhibiting YAP/TAZ-TEAD CISTIM LEUVEN VZW (BE) 2023-09-07 US disclosed
EP-3013840-B1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT RICOH CO LTD (JP) 2021-07-28 EP disclosed
US-10030041-B2 C-terminal Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-20180086775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2018-03-29 US disclosed
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2018-02-22 US disclosed
US-9856241-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-01-02 US disclosed
US-9792944-B2 Recording material and optical information recording medium FUJIFILM CORPORATION (JP) 2017-10-17 US disclosed
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 US disclosed
WO-2014208775-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT RICOH COMPANY, LTD. (JP) 2014-12-31 WO disclosed
US-8748015-B2 Indenofluorenedione derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US disclosed
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-02-27 US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-8183793-B2 Method for synthesizing anthracene derivative and anthracene derivative, light emitting element, light emitting device, electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-22 US disclosed
US-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-11-24 US disclosed
US-20110084230-A1 Process for Synthesizing Organoelemental Compounds LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2011-04-14 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
US-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-03 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 (13 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-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 KIF11 650/4885CA1 1711/4885CA2 3526/4885
US-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE ALAD, CYP2C9, CYP1A1 KIF11 4444/4885CA1 1625/4885CA2 1599/4885
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 KIF11 4467/4885CA1 1490/4885CA2 447/4885
US-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT HSD17B11, HSD17B2, HSD17B1 KIF11 1128/4885CA1 2026/4885CA2 2773/4885
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS TRPV1, TRPA1, KCNJ11 KIF11 1449/4885CA1 1692/4885CA2 356/4885
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR KIF11 4328/4885CA1 4002/4885CA2 2119/4885
US-20230279016-A1 Tetrahydropyrazolopyrimidines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD2, TEAD1 KIF11 4106/4885CA1 4872/4885CA2 4538/4885
US-20110084230-A1 Process for Synthesizing Organoelemental Compounds CHRM1, CHRM2, MLX KIF11 2661/4885CA1 22/4885CA2 396/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 KIF11 3482/4885CA1 2367/4885CA2 4342/4885
US-10030041-B2 C-terminal Hsp90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 KIF11 3823/4885CA1 4526/4885CA2 4338/4885
US-12024536-B2 C-terminal HSP90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 KIF11 3823/4885CA1 4526/4885CA2 4338/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 KIF11 650/4885CA1 1711/4885CA2 3526/4885
US-20180086775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, PPOX KIF11 2976/4885CA1 4150/4885CA2 4509/4885

“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.