SCHEMBL1878657

SCHEMBL1878657

CCc1cc2ccccc2n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.55
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
VCP P55072 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MAT2A P31153 1/20 0.39
MAPK8 P45983 1/20 0.39
PGR P06401 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
SCHEMBL10208758 0.83 CYP19A1 (0.57) CYP19A1ALDH1A1TSHRKDM4EGAA
SCHEMBL28236106 0.83 TSHR (0.54) CYP19A1ALDH1A1TSHRKDM4EVCP
SCHEMBL11715640 0.82 CYP1A2 (0.47) CYP19A1KDM4EGAAVCPL3MBTL1
SCHEMBL14387000 0.82 OXER1 (0.54) CYP19A1ALDH1A1TSHRKDM4EGAA
SCHEMBL22789633 0.82 CYP19A1 (0.41) CYP19A1ALDH1A1TSHRKDM4EVCP
SCHEMBL11377192 0.80 CYP19A1 (0.51) CYP19A1ALDH1A1TSHRKDM4EATM
SCHEMBL12260330 0.80 CYP19A1 (0.51) CYP19A1ALDH1A1TSHRKDM4EGAA
SCHEMBL13278192 0.79 ALDH1A1 (0.58) CYP19A1ALDH1A1TSHRL3MBTL1
SCHEMBL28345828 0.79 CYP19A1 (0.50) CYP19A1ALDH1A1TSHRKDM4EGAA
SCHEMBL12534057 0.77 ALDH1A1 (0.47) CYP19A1ALDH1A1TSHRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 US disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
CN-100404479-C Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2008-07-23 CN disclosed
CN-1871188-A Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2006-11-29 CN disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 EP 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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA CYP19A1 5/4885ALDH1A1 231/4885TSHR 3311/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA CYP19A1 5/4885ALDH1A1 231/4885TSHR 3311/4885

“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.