SCHEMBL2075977

SCHEMBL2075977

COc1ccc(CCl)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ DYRK1A Q13627 1/20 0.46
▸ APLNR P35414 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ ADRA1A P35348 1/20 0.39

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
SCHEMBL31564908 0.83 ALDH1A1 (0.49) ALDH1A1GFERDYRK1AAPLNRCA12
SCHEMBL14147104 0.83 ALDH1A1 (0.49) ALDH1A1GFERDYRK1AAPLNRCA12
SCHEMBL9676713 0.83 ALDH1A1 (0.51) ALDH1A1GFERDYRK1AAPLNRCA12
SCHEMBL11295684 0.83 GPR84 (0.47) ALDH1A1APLNRKDM1AMAOAMAOB
SCHEMBL1690285 0.81 HTT (0.46) ALDH1A1APLNRKDM1AMAOAMAOB
SCHEMBL10606335 0.80 NQO1 (0.48) ALDH1A1KMT2AGAAMEN1CA12
SCHEMBL24411006 0.79 CA12 (0.45) ALDH1A1APLNRKDM1AMAOAMAOB
SCHEMBL7826059 0.79 CA12 (0.46) ALDH1A1APLNRKDM1AMAOAMAOB
SCHEMBL3258877 0.79 IDO1 (0.48) ALDH1A1APLNRKDM1AMAOAMAOB
SCHEMBL590943 0.79 APLNR (0.63) ALDH1A1GFERDYRK1AAPLNRCA12

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 — — EP disclosed
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 — — EP disclosed
EP-2580210-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2017-03-01 — — EP disclosed
EP-2580210-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2017-03-01 — — EP disclosed
US-9078871-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-07-14 — — US disclosed
US-9078871-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-07-14 — — US disclosed
US-9078871-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-07-14 — — US disclosed
US-8703810-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2014-04-22 — — US disclosed
US-8703810-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2014-04-22 — — US disclosed
US-8703810-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2014-04-22 — — US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 — — EP disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 — — US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 — — EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 — — EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 — — WO disclosed
EP-0182872-B1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS THE DOW CHEMICAL COMPANY (US) 1989-11-08 — — EP disclosed
EP-0182872-A4 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS. DOW CHEMICAL CO (US) 1986-08-21 — — EP disclosed
EP-0182872-A1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS. DOW CHEMICAL CO (US) 1986-06-04 — — EP disclosed
WO-1985005355-A1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS THE DOW CHEMICAL COMPANY (US) 1985-12-05 — — 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B ALDH1A1 2953/4885GFER 3491/4885DYRK1A 3173/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ALDH1A1 2953/4885GFER 3491/4885DYRK1A 3173/4885

“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.

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