SCHEMBL4173310

SCHEMBL4173310

CCCC(C)OC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30400959 1.00 ALDH1A1 (0.32) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL18602999 0.95 ALDH1A1 (0.35) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL12580715 0.90 CYP1A2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL28900411 0.87 ALDH1A1 (0.37) ALDH1A1
SCHEMBL17267078 0.85 SHBG (0.30)
SCHEMBL6014062 0.85 SHBG (0.30)
SCHEMBL7167521 0.84
SCHEMBL9405647 0.84 MEN1 (0.31)
SCHEMBL16314440 0.84 MEN1 (0.31)
SCHEMBL6254499 0.84

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-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 US disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed
EP-0624163-B1 CYCLIC CALCITONIN DERIVATIVES AND METHOD FOR THEIR PRODUCTION SMITHKLINE BEECHAM FARMA (IT) 1998-03-25 EP disclosed
EP-0624163-A1 CYCLIC CALCITONIN DERIVATIVES AND METHOD FOR THEIR PRODUCTION Smithkline Beecham Farmaceutici S.p.A. (IT) 1994-11-17 EP disclosed
WO-1993015106-A1 CYCLIC CALCITONINE DERIVATIVES AND METHOD FOR THEIR PRODUCTION SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1993-08-05 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-10759781-B2 Substituted guanidine derivatives GMPS, GUCY1A1, GUCY1A2 ALDH1A1 687/4885MAPT 2077/4885HPGD 1290/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 ALDH1A1 687/4885MAPT 2077/4885HPGD 1290/4885

“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.