SCHEMBL3490885

SCHEMBL3490885

ClCc1ccc2c(c1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.47
DYRK1A Q13627 2/20 0.44
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KCNH2 Q12809 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
FAAH O00519 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL30940052 1.00 PRKCI (0.47) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL17030554 0.89 CTNNB1 (0.42) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL14403556 0.89 CTNNB1 (0.46) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL4060161 0.85 RAB9A (0.45) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL29786197 0.85 RAB9A (0.45) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL3638564 0.85 CHRM2 (0.50) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL10734397 0.82 NPBWR1 (0.41) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL317341 0.81 PRKCI (0.51) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL22549528 0.81 PRKCI (0.47) PRKCIRAB9APOLBKDM1AMAOA
SCHEMBL4688762 0.81 PRKCI (0.47) PRKCIRAB9APOLBKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122061-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
EP-0794183-B1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 2000-06-14 EP claimed
US-5693831-A (2,3-dihydro-5-benzofuranyl)-acetonitrile BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US claimed
EP-0794183-A1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 1997-09-10 EP claimed
JP-9241250-A None JP disclosed
CN-113122061-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-7087597-B1 Pyrimidine 5-carboxamide compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-08 US disclosed
EP-1223170-B1 PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2005-12-28 EP disclosed
EP-1223170-A1 PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
EP-0794183-B1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 2000-06-14 EP disclosed
US-5693831-A (2,3-dihydro-5-benzofuranyl)-acetonitrile BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5693831-A (2,3-dihydro-5-benzofuranyl)-acetonitrile BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
JP-H09241250-A (2,3-DIHYDRO-5-BENZOFURANYL)ACETONITRILE BAYER AG 1997-09-16 JP disclosed
EP-0794183-A1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 1997-09-10 EP disclosed
EP-0794183-A1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 1997-09-10 EP disclosed
US-4177272-A HYPOTENSIVE, VASODILATION, PARKINSON'S DISEASE SCIENCE UNION ET CIE (FR) 1979-12-04 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 (1 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP PRKCI 343/4885RAB9A 3231/4885POLB 2392/4885

“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.