SCHEMBL2995400

SCHEMBL2995400

Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.48
AKR1C3 P42330 1/20 0.47
LMNA P02545 2/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
SRD5A2 P31213 1/20 0.45
HTT P42858 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL5032653 0.89 CES2 (0.48) CES2CES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4837185 0.89 CES2 (0.48) CES2CES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10937900 0.85 L3MBTL1 (0.53) CES2CES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6311793 0.84 CES2 (0.55) CES2CES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28406694 0.83 CES2 (0.50) CES2CES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL257767 0.82 KMT2A (0.66) CES2CES1ALDH1A1KMT2ANPC1
SCHEMBL6037561 0.82 CES2 (0.48) CES2CES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL729118 0.82 CES2 (0.54) CES2ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL8621002 0.81 PTGS2 (0.58) CES2CES1ALDH1A1KMT2ANPC1
SCHEMBL11254594 0.81 CES2 (0.52) CES2CES1ALDH1A1KMT2ASMN1; SMN2

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
US-20120248423-A1 POLYMERIC MATERIAL AND POLYMERIC LUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-8222632-B2 Polymeric material and polymeric luminescent element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20100171100-A1 POLYMERIC MATERIAL AND POLYMERIC LUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-08 US disclosed
US-6979746-B2 (1,4-phenylene)bis(methylene) phosphonic acid esters and (1,4-phenylene)bis(methylene) triphenyl phosphonium salt compounds SONY CORPORATION (JP) 2005-12-27 US disclosed
US-20030073863-A1 Bis (aminostyryl) benzene compounds and synthetic intermediates thereof, and process for preparing the compounds and intermediates ICHIMURA MARI (JP) 2003-04-17 US disclosed
US-20030069437-A1 Bis (aminostyryl) benzene compunds and synthetic intermediates thereof, and process for preparing the compounds and intermediates JOLED INC. (JP) 2003-04-10 US disclosed
US-20030060652-A1 Bis (aminostyryl) benzene compounds and synthetic intemediates thereof, and process for preparing the compounds and intermediates ICHIMURA MARI (JP) 2003-03-27 US disclosed
US-6525212-B1 Reacting 4-(N,N-diaryl)aminobenzaldehyde and diphosphonic acid ester or diphosphonium salt SONY CORPORATION (JP) 2003-02-25 US disclosed
US-6337167-B1 FOR USE AS AN ORGANIC LUMINESCENT MATERIAL CAPABLE OF DEVELOPING A DESIRED LUMINESCENT COLOR SONY CORPORATION (JP) 2002-01-08 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 (3 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-20030060652-A1 Bis (aminostyryl) benzene compounds and synthetic intemediates thereof, and process for preparing the compounds and intermediates INTS6, IDH3B, IDH3A CES2 1661/4885CES1 3018/4885ALDH1A1 531/4885
US-20030073863-A1 Bis (aminostyryl) benzene compounds and synthetic intermediates thereof, and process for preparing the compounds and intermediates DDC, CCNB1, AASDHPPT CES2 1673/4885CES1 2592/4885ALDH1A1 1346/4885
US-20030069437-A1 Bis (aminostyryl) benzene compunds and synthetic intermediates thereof, and process for preparing the compounds and intermediates DDC, AASDHPPT, DHPS CES2 754/4885CES1 1939/4885ALDH1A1 1431/4885

“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.