SCHEMBL129688

SCHEMBL129688

c1ccc2cc(-c3cccc4c3oc3ccccc34)ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.51
NPC1 O15118 4/20 0.50
ALOX5 P09917 2/20 0.48
PRKDC P78527 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL17413798 0.86 GRM4 (0.43) GRM4NPC1ALOX5PRKDCPIK3CD
SCHEMBL25644167 0.85 NPC1 (0.47) GRM4NPC1MAPTALDH1A1HPGD
SCHEMBL26011142 0.84 NPC1 (0.49) GRM4NPC1PRKDCMAPTKDM4E
SCHEMBL17212636 0.83 ALOX5 (0.52) GRM4NPC1ALOX5PRKDCPIK3CD
SCHEMBL24795119 0.83 NPC1 (0.48) GRM4NPC1PRKDCMAPTKDM4E
SCHEMBL26936091 0.83 GRM4 (0.40) GRM4NPC1ALOX5PRKDCPIK3CD
SCHEMBL13834440 0.81 ALOX5 (0.47) NPC1ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL22048839 0.81 ALOX5 (0.47) GRM4NPC1ALOX5PRKDCPIK3CD
SCHEMBL25462986 0.81 ALOX5 (0.41) GRM4NPC1ALOX5PRKDCPIK3CD
SCHEMBL17212568 0.81 ALOX5 (0.49) GRM4NPC1ALOX5PRKDCPIK3CD

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-20230144101-A1 LIGHT-EMITTING MATERIAL WITH A POLYCYCLIC LIGAND Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-11 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L GRM4 3672/4885NPC1 866/4885ALOX5 1945/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L GRM4 4087/4885NPC1 799/4885ALOX5 1554/4885
US-20230144101-A1 LIGHT-EMITTING MATERIAL WITH A POLYCYCLIC LIGAND TRPC4, CRY1, TRPC1 GRM4 280/4885NPC1 3269/4885ALOX5 3240/4885

“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.