SCHEMBL665958

SCHEMBL665958

[CH]c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
FLT3 P36888 1/20 0.48
CYP2A6 P11509 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
DAO P14920 2/20 0.47
HPGD P15428 2/20 0.47
SRD5A2 P31213 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRD4 O60885 1/20 0.47
DDO Q99489 1/20 0.47
CA2 P00918 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 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
SCHEMBL29631691 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL374022 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29377234 0.72 AOC3 (0.56) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL4417665 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL223071 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL5395 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL261138 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL980499 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL37667 0.70 AOC3 (1.00) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL1388385 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11986507-B1 Micronutrient composition to improve men's health Rath, Matthias W. (US) 2024-05-21 US claimed
CN-113093317-B Near-infrared ray absorption substrate and optical device including the same 株式会社LMS 2023-04-18 CN claimed
CN-111108414-B Optical article and optical filter comprising the same 株式会社LMS 2022-02-01 CN claimed
CN-109416420-B Optical product and optical filter thereof 株式会社LMS 2021-09-07 CN claimed
CN-110462462-B Optical article and optical filter comprising the same 株式会社LMS 2021-07-30 CN claimed
CN-113093317-A Near-infrared absorbing substrate and optical device including the same 株式会社LMS 2021-07-09 CN claimed
US-10908081-B2 Optical article and optical filter including same LMS CO., LTD (KR) 2021-02-02 US claimed
US-10767030-B2 Optical article and optical filter comprising same LMS CO., LTD. 2020-09-08 US claimed
CN-111108414-A Optical article and optical filter comprising the same 株式会社LMS 2020-05-05 CN claimed
US-20200072741-A1 OPTICAL ARTICLE AND OPTICAL FILTER INCLUDING SAME LMS CO., LTD (KR) 2020-03-05 US claimed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-6656910-B2 Serine protease inhibitors CORTECH, INC. 2003-12-02 US claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
US-20030060418-A1 Serine protease inhibitors CORTECH, INC. 2003-03-27 US claimed
US-5798337-A USED TO PROMOTE GROWTH IN MAMMALS EITHER ALONE OR IN COMBINATION WITH OTHER GROWTH PROMOTING COMPOUNDS GENENTECH, INC. (US) 1998-08-25 US claimed
WO-1997009333-A1 NOVEL THIO-PHOSPHOORGANIC COMPOUNDS WITH PLANT PROTECTING ACTIVITY SITRA FOUNDATION (FI) 1997-03-13 WO claimed
US-4500467-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS BASF AKTIENGESELLSCAFT (DE) 1985-02-19 US claimed

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-20030060418-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 AOC3 2799/4885NPC1 4186/4885RAB9A 4168/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 AOC3 4273/4885NPC1 591/4885RAB9A 3016/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 AOC3 3799/4885NPC1 801/4885RAB9A 3061/4885

“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.