SCHEMBL4690786

SCHEMBL4690786

Cc1ccc(/C(C#N)=C\c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
MAPT P10636 8/20 0.56
ALDH1A1 P00352 5/20 0.56
NPSR1 Q6W5P4 5/20 0.56
HPGD P15428 4/20 0.56
CYP1A2 P05177 3/20 0.56
HTT P42858 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
HIF1A Q16665 1/20 0.50
RAB9A P51151 5/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KIF20A O95235 1/20 0.47
NQO2 P16083 2/20 0.46

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
SCHEMBL4690787 1.00 ESR1 (0.59) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL13615366 0.91 ESR1 (0.69) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL14116372 0.91 ESR1 (0.69) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL823204 0.91 ESR1 (0.69) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL30137200 0.91 ESR1 (0.69) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL13485321 0.91 ESR1 (0.69) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL246918 0.91 ESR1 (0.69) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL14901028 0.86 ESR1 (0.62) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL26867220 0.83 ESR1 (0.59) ESR1ESR2MAPTALDH1A1NPSR1
SCHEMBL4912768 0.83 MAPT (0.64) ESR1ESR2MAPTALDH1A1NPSR1

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
CN-100435027-C Organic light receptor with charge transfer compound for electronic photographing SAMSUNG ELECTRONICS CO LTD (KR) 2008-11-19 CN disclosed
EP-1283448-B1 Electrophotographic organophotoreceptors with charge transport compounds SAMSUNG ELECTRONICS CO LTD (KR) 2008-11-05 EP disclosed
US-7358014-B2 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-15 US disclosed
US-20050112490-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO., LTD. 2005-05-26 US disclosed
US-20030113132-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG INFORMATION SYSTEMS AMERICA 2003-06-19 US disclosed
CN-1410834-A Organic light receptor with charge transfer compound for electronic photographing SAMSUNG ELECTRONICS CO LTD (KR) 2003-04-16 CN disclosed
EP-1283448-A2 Electrophotographic organophotoreceptors with charge transport compounds Samsung Electronics Co., Ltd. (KR) 2003-02-12 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 (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-20030113132-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SLC43A1, SLC18A2, SLC1A1 ESR1 3149/4885ESR2 2220/4885MAPT 4385/4885

“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.