SCHEMBL3976428

SCHEMBL3976428

CCOC(=O)c1cccc2sc3ccc(OC)cc3c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
KDM4E B2RXH2 8/20 0.54
MAPT P10636 6/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAD52 P43351 1/20 0.53
HPGD P15428 7/20 0.46
GAA P10253 4/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.45
MAOB P27338 2/20 0.44
GLA P06280 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 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
SCHEMBL30254707 0.84 TSHR (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9456116 0.84 TSHR (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9455912 0.81 MAPT (0.49) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL3248484 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1TDP1HPGD
SCHEMBL7943979 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL29000291 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL29046292 0.77 MAPT (0.55) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL52226 0.77 NPC1 (0.56) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL29501110 0.77 NPC1 (0.56) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL4536611 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538104-B2 Photoactivable nitrogen bases CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-05-26 US disclosed
US-20040242867-A1 Photoactivable nitrogen bases CIBA CORPORATION 2004-12-02 US disclosed
EP-1436297-A1 PHOTOACTIVABLE NITROGEN BASES Ciba Specialty Chemicals Holding Inc. (CH) 2004-07-14 EP disclosed
WO-2003033500-A1 PHOTOACTIVABLE NITROGEN BASES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 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-20040242867-A1 Photoactivable nitrogen bases CBR3, NR2E3, RCOR3 ALDH1A1 2780/4885KDM4E 2134/4885MAPT 4853/4885

“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.