SCHEMBL6311737

SCHEMBL6311737

COc1ccc(N(c2ccccc2)c2ccccc2C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CYP2A6 P11509 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LTA4H P09960 2/20 0.40
TRPA1 O75762 1/20 0.40
CA4 P22748 1/20 0.39
ERN1 O75460 1/20 0.39
TRIM24 O15164 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
SCHEMBL6308307 0.97 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL50149 0.85 KMT2A (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL6388668 0.84 KMT2A (0.35) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL31298129 0.81 KMT2A (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL19275033 0.79 ALDH1A1 (0.66) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL5347489 0.79 ALDH1A1 (0.66) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL30825194 0.79 KMT2A (0.40) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3652788 0.78 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL30022854 0.78 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL12533760 0.78 KDM4E (0.45) ALDH1A1KDM4EHPGDTRPM8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 531/4885LMNA 310/4885CYP1A2 1503/4885
US-20030073863-A1 Bis (aminostyryl) benzene compounds and synthetic intermediates thereof, and process for preparing the compounds and intermediates DDC, CCNB1, AASDHPPT ALDH1A1 1346/4885LMNA 465/4885CYP1A2 1273/4885
US-20030069437-A1 Bis (aminostyryl) benzene compunds and synthetic intermediates thereof, and process for preparing the compounds and intermediates DDC, AASDHPPT, DHPS ALDH1A1 1431/4885LMNA 1070/4885CYP1A2 1056/4885

“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.