SCHEMBL9608820

SCHEMBL9608820

CC1(c2ccccc2)CCCO1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
CYP1A2 P05177 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ICMT O60725 1/20 0.36

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
SCHEMBL11465523 0.94 HSD11B1 (0.39) HSD11B1CYP1A2OPRM1OPRK1OPRL1
SCHEMBL1692246 0.92 SLC6A4 (0.41) HSD11B1CYP1A2OPRM1
SCHEMBL3036428 0.80 ALDH1A1 (0.44) ALDH1A1
SCHEMBL6304758 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28061487 0.80 HSD11B1 (0.38) HSD11B1CYP1A2OPRM1OPRK1OPRL1
SCHEMBL16990752 0.78 HSD11B1 (0.42) HSD11B1OPRM1OPRK1OPRL1
SCHEMBL27631414 0.78 HCAR2 (0.38) CYP1A2OPRM1OPRL1TSHRALDH1A1
SCHEMBL14614698 0.77 SLC5A1 (0.35) OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL1279335 0.77 OPRM1 (0.50) HSD11B1CYP1A2OPRM1TSHR
SCHEMBL4698997 0.77 BACE1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158021-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-06-11 US disclosed
US-20150158021-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-06-11 US disclosed
WO-2013178640-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-12-05 WO disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH HSD11B1 2262/4885CYP1A2 996/4885OPRM1 87/4885
US-20150158021-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS LIG4, DDT, MCM4 HSD11B1 1808/4885CYP1A2 265/4885OPRM1 1385/4885

“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.