SCHEMBL9123715

SCHEMBL9123715

CC(Cl)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
MAOA P21397 1/20 0.57
PTGS1 P23219 1/20 0.57
CYP2D6 P10635 4/20 0.50
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
SCN4A P35499 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
ESR1 P03372 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL20379107 1.00 LMNA (0.63) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL11228825 0.83 LMNA (0.59) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL7688616 0.81 LMNA (0.56) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL9178337 0.81 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL13385106 0.81 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL97377 0.81 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL9808111 0.81 LMNA (0.56) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL9123017 0.80 USP2 (0.47) LMNACYP2D6TSHRCYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL28834669 0.79 LMNA (0.65) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL23474864 0.78 MAPT (0.51) LMNAALDH1A1SMN1; SMN2TSHRDRD2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045934-A Printing ink, application thereof and preparation method of quantum dot film TCL集团股份有限公司 2021-06-29 CN claimed
CN-101367778-B Industrialized manufacturing technique for hexafluoropropylene oxide HAITAO FANG 2012-06-13 CN claimed
CN-101367778-A Industrialized manufacturing technique for hexafluoropropylene oxide HAITAO FANG (CN) 2009-02-18 CN claimed
CN-113045934-A Printing ink, application thereof and preparation method of quantum dot film TCL集团股份有限公司 2021-06-29 CN disclosed
US-10906866-B2 Process for the preparation of phenoxybenzamine AUROBINDO PHARMA LTD. (IN) 2021-02-02 US disclosed
WO-2018130942-A1 A PROCESS FOR THE PREPARATION OF PHENOXYBENZAMINE AUROBINDO PHARMA LIMITED (IN) 2018-07-19 WO disclosed
WO-2018130942-A1 A PROCESS FOR THE PREPARATION OF PHENOXYBENZAMINE AUROBINDO PHARMA LIMITED (IN) 2018-07-19 WO disclosed
US-9839690-B2 Singlet oxygen-labile linkers and methods of production and use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-12-12 US disclosed
US-20170014510-A1 Singlet Oxygen-Labile Linkers and Methods of Production and Use Thereof THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-01-19 US disclosed
US-9393306-B2 Singlet oxygen-labile linkers and methods of production and use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-07-19 US disclosed
US-20150165026-A1 SINGLET OXYGEN-LABILE LINKERS AND METHODS OF PRODUCTION AND USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-06-18 US disclosed
CN-101367778-B Industrialized manufacturing technique for hexafluoropropylene oxide HAITAO FANG 2012-06-13 CN disclosed
CN-101367778-A Industrialized manufacturing technique for hexafluoropropylene oxide HAITAO FANG (CN) 2009-02-18 CN disclosed
US-7264960-B2 Enzymatic resolution of propylene glycol alkyl (or aryl) ethers and ether acetates DOW GLOBAL TECHNOLOGIES INC. (US) 2007-09-04 US disclosed
EP-0492615-B1 Process for producing biguanide derivative IDEMITSU KOSAN CO (JP) 1995-03-08 EP disclosed
US-5286905-A Heating hydrogen halide salt of phenoxyalkylamine with dicyandiamide in paraffinic hydrocarbon solvent IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-02-15 US disclosed
EP-0492615-A1 Process for producing biguanide derivative IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-01 EP disclosed
US-4120888-A REACTING PHOSGENE WITH AN EPOXY MINEREC CORPORATION (US) 1978-10-17 US disclosed
US-4097528-A N-(2-diphenylmethoxyethyl)-N-(1-methyl-2-phenoxyethyl)-N-methyl! amine DOCTOR ANDREU, S.A. (ES) 1978-06-27 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 (3 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-20170014510-A1 Singlet Oxygen-Labile Linkers and Methods of Production and Use Thereof PPOX, DUOX1, PAICS LMNA 764/4885MAOA 293/4885PTGS1 350/4885
US-10906866-B2 Process for the preparation of phenoxybenzamine PNMT, MAOB, COMT LMNA 1094/4885MAOA 18/4885PTGS1 724/4885
US-20150165026-A1 SINGLET OXYGEN-LABILE LINKERS AND METHODS OF PRODUCTION AND USE THEREOF PPOX, DUOX1, PAICS LMNA 764/4885MAOA 293/4885PTGS1 350/4885

“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.