SCHEMBL4150416

SCHEMBL4150416

Fc1ccc2c(c1)OCC=C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.49
HTR2C P28335 2/20 0.41
CA12 O43570 1/20 0.41
CYP2B6 P20813 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
FABP6 P51161 1/20 0.31

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
SCHEMBL18722147 0.85 STS (0.38) STSHTR2CCA12
SCHEMBL1477306 0.84 CYP2B6 (0.42) STSHTR2CCA12CYP2B6CA1
SCHEMBL30888693 0.84 CYP2B6 (0.42) STSHTR2CCA12CYP2B6CA1
SCHEMBL30065900 0.76 STS (0.53) STSCA12CYP2B6CA1CA9
SCHEMBL29771885 0.76 STS (0.49) STSCA12CYP2B6CA1CA9
SCHEMBL2011444 0.76 STS (0.49) STSCYP2B6CA1CA9CYP1A2
SCHEMBL547263 0.76 STS (0.49) STSCA12CYP2B6CA1CA9
SCHEMBL29274342 0.76 STS (0.49) STSHTR2CCA12CYP2B6CA1
SCHEMBL276961 0.76 STS (0.53) STSCA12CYP2B6CA1CA9
SCHEMBL5537604 0.76 STS (0.49) STSCYP2B6CA1CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
WO-2024040267-A2 DIRECT SYNTHESIS OF N-(3-SUBSTITUTED-CHROMAN-4-YL)-7H- PYRROLO[2,3-D]PYRIMIDIN-4-AMINES AND DERIVATIVES THEREOF MITOKININ, INC. (US) 2024-02-22 WO disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 EP disclosed
US-8609653-B2 Azaindole compounds and methods for treating HIV GLAXOSMITHKLINE LLC (US) 2013-12-17 US disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO disclosed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 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 (4 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 STS 1106/4885HTR2C 270/4885CA12 4436/4885
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 STS 1203/4885HTR2C 598/4885CA12 4818/4885
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 STS 2008/4885HTR2C 1886/4885CA12 995/4885
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT STS 2825/4885HTR2C 597/4885CA12 4361/4885

“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.