SCHEMBL11501520

SCHEMBL11501520

CO[C@@H]1CCCC[C@H]1OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 8/20 0.40
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APLNR P35414 1/20 0.35
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL10268948 1.00 KDM4E (0.46) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL21727237 1.00 KDM4E (0.46) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL12909388 1.00 KDM4E (0.46) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL11501519 1.00 KDM4E (0.46) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL2904322 1.00 KDM4E (0.46) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL22642035 0.96 KDM4E (0.44) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL9197226 0.92
SCHEMBL5481927 0.92
SCHEMBL15062108 0.92
SCHEMBL772885 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107688069-B Method for detecting (1R,2R) -cyclohexane-1, 2-dimethanol 顾世海 2020-11-03 CN claimed
CN-107688069-B Method for detecting (1R,2R) -cyclohexane-1, 2-dimethanol 顾世海 2020-11-03 CN disclosed
EP-2917185-B1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INT GMBH (DE) 2017-05-10 EP disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
WO-2014072244-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 WO disclosed
US-4156603-A COMPLEXED WITH A POLYFUNCTIONAL LEWIS BASE EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-29 US disclosed
US-4147530-A Reductions of inorganic substrates with chelated sodium hydridoaluminates or hydridoborates EXXON RESEARCH & ENGINEERING CO. (US) 1979-04-03 US disclosed
US-4088666-A Reductions with chelated lithium hydridoaluminates or hydridoborates EXXON RESEARCH & ENGINEERING CO. (US) 1978-05-09 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 (2 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885ALDH1A1 1434/4885LMNA 3069/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885ALDH1A1 1434/4885LMNA 3069/4885

“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.