SCHEMBL1807392

SCHEMBL1807392

CCOc1cccc2c(N)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2A6 P11509 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 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
SCHEMBL1806065 0.88 IDO1 (0.62) ALDH1A1HPGDHSD17B10CYP3A4TDP1
SCHEMBL30503999 0.87 ALDH1A1 (0.54) ALDH1A1HPGDTDP1TSHRL3MBTL1
SCHEMBL3818341 0.87 ALDH1A1 (0.54) ALDH1A1HPGDTDP1TSHRL3MBTL1
SCHEMBL11311122 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP3A4TDP1
SCHEMBL23159060 0.83 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10CYP3A4TDP1
SCHEMBL1806093 0.83 CYP2C9 (0.68) ALDH1A1HPGDHSD17B10CYP3A4TDP1
SCHEMBL15772901 0.79 SYK (0.47) ALDH1A1HPGDIDO1MAPTEP300
SCHEMBL1838872 0.79 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10CYP3A4TDP1
SCHEMBL29466998 0.79 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL15704 0.79 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1L3MBTL1

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
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4156086-A INTERMEDIATES FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A1 218/4885HPGD 1067/4885HSD17B10 2848/4885

“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.