SCHEMBL6929616

SCHEMBL6929616

O=CCC(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.38
HTR2A P28223 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRC P12931 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
DPP4 P27487 2/20 0.33
HRH1 P35367 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 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
SCHEMBL6224690 0.80 TSHR (0.43) TSHRCYP2D6CYP2C19LMNAMAPK1
SCHEMBL4422682 0.80 HTR2A (0.36) CYP2C19HTR2AKMT2A
SCHEMBL15481931 0.78 TSHR (0.41) TSHRCYP2D6CYP2C19HTR2ATAAR1
SCHEMBL26127277 0.78 IDO1 (0.34)
SCHEMBL6223277 0.78 CYP2A6 (0.38) LMNAALDH1A1KMT2A
SCHEMBL6221926 0.78 IDO1 (0.34)
SCHEMBL68782 0.78 HTR2A (0.46) TSHRCYP2D6CYP2C19HTR2ATAAR1
SCHEMBL2923052 0.77 CYP2C19 (0.52) TSHRCYP2C19HTR2ATAAR1KDM4E
SCHEMBL2371653 0.77 TSHR (0.44) TSHRCYP2C19HTR2ATAAR1LMNA
SCHEMBL3140559 0.76 CYP2D6 (0.42) TSHRCYP2D6CYP2C19HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2641923-B1 (Co)-polymeric and hybrid (co)-polymeric electron acceptors for organic photovoltaic cell applications UNIV OF PATRAS (GR) 2017-05-24 EP disclosed
EP-2641923-A1 (Co)-polymeric and hybrid (co)-polymeric electron acceptors for organic photovoltaic cell applications University Of Patras (GR) 2013-09-25 EP disclosed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US disclosed
WO-2000075094-A2 METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-12-14 WO disclosed
WO-2000037425-A1 METHOD FOR PRODUCING FLUOXETIN SIEGFRIED CMS AG (CH) 2000-06-29 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 (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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 TSHR 3908/4885CYP2D6 1486/4885CYP2C19 2290/4885

“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.