SCHEMBL6239161

SCHEMBL6239161

COc1cc(Cl)ccc1CCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 8/20 0.46
ACLY P53396 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1838256 0.89 ACLY (0.50) PTGES2ACLYTRPV4POLBMEN1
SCHEMBL1679612 0.85 PDCD1 (0.50) PTGES2TRPV4POLBMEN1KMT2A
SCHEMBL29825398 0.85 PDCD1 (0.50) PTGES2TRPV4POLBMEN1KMT2A
SCHEMBL9921408 0.83 HMGCR (0.47) PTGES2ACLYTRPV4SLC6A2SLC6A4
SCHEMBL7435306 0.82 ACLY (0.43) PTGES2ACLYTRPV4POLBKDM4C
SCHEMBL1569795 0.81 TAAR1 (0.61)
SCHEMBL20761848 0.81 HTT (0.46) PTGES2ACLYTRPV4SLC6A2SLC6A4
SCHEMBL11503227 0.81 PTGES2 (0.46) PTGES2ACLYTRPV4MEN1KMT2A
SCHEMBL11313806 0.80 MAPT (0.59) PTGES2TRPV4MEN1KMT2AKDM4C
Hydrochloric Acid SCHEMBL1571623 0.80 TAAR1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055212-A1 HISTONE DEMETHYLASE INHIBITORS GWALTNEY STEPHEN (US) 2019-02-21 US disclosed
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
WO-2010018109-A2 SUBSTITUTED AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO 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-20100041713-A1 SUBSTITUTED AMINOTETRALINES HRH4, HRH1, HRH2 PTGES2 428/4885ACLY 2509/4885TRPV4 1078/4885
US-20190055212-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6B, KDM5B PTGES2 3335/4885ACLY 1832/4885TRPV4 4771/4885

“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.