SCHEMBL9929137

SCHEMBL9929137

COCCN1C(=O)c2cccc3c(C)c4ccccc4c(c23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 6/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 4/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TLR9 Q9NR96 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL579407 0.84 RAB9A (0.40) HPGDNPSR1RAB9AKMT2ATDP1
SCHEMBL9929444 0.84 RAB9A (0.40) HPGDNPSR1RAB9AKMT2ATDP1
SCHEMBL25868685 0.81 CYP1B1 (0.43) HPGDNPSR1RAB9AKMT2ANPC1
SCHEMBL3642366 0.77 RAB9A (0.65) HPGDNPSR1RAB9AKMT2ATDP1
SCHEMBL29530672 0.77 RAB9A (0.65) HPGDNPSR1RAB9AKMT2ATDP1
SCHEMBL6311318 0.76 HEXA (0.63) RAB9AKMT2AALDH1A1MEN1HEXA
Benzene SCHEMBL28662465 0.75 HEXA (0.61) HPGDNPSR1RAB9AKMT2AALDH1A1
SCHEMBL10267887 0.75 CYP1B1 (0.68) KMT2ANPC1ALDH1A1MEN1CYP1B1
SCHEMBL19872904 0.75 USP2 (0.68) NPSR1RAB9AKMT2ATDP1NPC1
SCHEMBL10262314 0.75 ALDH1A1 (0.68) HPGDNPSR1RAB9AKMT2ATDP1

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
EP-3053914-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-08-10 EP disclosed
US-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2016-02-04 US disclosed
US-9115063-B2 Fluorophore and fluorescent sensor compound containing same LIGHTSHIP MEDICAL LIMITED (GB) 2015-08-25 US disclosed
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LIMITED (GB) 2012-06-21 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 (2 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-20160033521-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 HPGD 4239/4885NPSR1 94/4885RAB9A 1978/4885
US-20120156793-A1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME QRFPR, TRPA1, GPR52 HPGD 4203/4885NPSR1 103/4885RAB9A 1989/4885

“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.