SCHEMBL186865

SCHEMBL186865

[CH2]C1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR6 P50406 1/20 0.40
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP2D6 P10635 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL23854470 0.98 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL20473386 0.76 ALDH1A1 (0.33) CYP2D6CYP3A4HSD17B10MEN1KMT2A
SCHEMBL31515802 0.75 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Ethylene SCHEMBL6917299 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL7869538 0.74 HTR2A (0.50) HTR2AHTR6KDM4ECYP2D6TP53
SCHEMBL5698322 0.74 HTR2A (0.44) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL4918618 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL29602380 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL550006 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Iodide SCHEMBL3385271 0.73 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN claimed
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-26 US claimed
CN-1738829-B New 2',5'-oligoadenylic acid analog SANKYO CO 2012-11-28 CN claimed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US claimed
US-7632975-B2 Process for the synthesis of arylfluorenes and analogs thereof CDT OXFORD LIMITED (GB) 2009-12-15 US claimed
US-20090043139-A1 Process for the Synthesis of Arylfluorenes and Analogues thereof CDT OXFORD LIMITED (GB) 2009-02-12 US claimed
CN-101189214-A Substituted 4, 5-dihydro-1, 2, 4-triazin-6-ones, 1, 2, 4-triazin-6-ones and their use as fungicides DOW AGROSCIENCES LLC (US) 2008-05-28 CN claimed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US claimed
EP-1809290-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE Vertex Pharmaceuticals Incorporated (US) 2007-07-25 EP claimed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US claimed
US-20060160817-A1 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 US claimed
WO-2006067483-A1 PROCESS FOR THE SYNTHESIS OF ARYLFLUORENES AND ANALOGUES THEREOF CDT OXFORD LIMITED (GB) 2006-06-29 WO claimed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 WO claimed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-11939421-B2 Or relating to curing agents HEXCEL COMPOSITES LIMITED (GB) 2024-03-26 US disclosed
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 US disclosed
US-4060550-A Novel n'-acylated phenyl-hydrazine and -hydrazone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-29 US disclosed
US-3974145-A Novel N'-acylated phenyl-hydrazine and hydrozone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 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 (6 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-20090043139-A1 Process for the Synthesis of Arylfluorenes and Analogues thereof CYP2F1, CYP1A1, AFF1 HTR2A 1929/4885HTR6 2223/4885SIGMAR1 647/4885
US-20060160817-A1 Ion channel modulators and methods of use CACNA1G, CACNA1C, CACNA1B HTR2A 775/4885HTR6 798/4885SIGMAR1 2191/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 HTR2A 1746/4885HTR6 1287/4885SIGMAR1 436/4885
US-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B HTR2A 911/4885HTR6 903/4885SIGMAR1 2293/4885
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1B, TRPV1, CACNA1C HTR2A 560/4885HTR6 427/4885SIGMAR1 940/4885
US-11939421-B2 Or relating to curing agents FABP4, RARA, ADIPOR1 HTR2A 1357/4885HTR6 2231/4885SIGMAR1 4578/4885

“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.