SCHEMBL2114596

SCHEMBL2114596

COc1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
ALDH1A1 P00352 6/20 0.65
HSD17B10 Q99714 2/20 0.65
HPGD P15428 2/20 0.65
CDC25B P30305 2/20 0.65
TP53 P04637 2/20 0.65
CYP3A4 P08684 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
ATM Q13315 1/20 0.65
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 4/20 0.58
GAA P10253 3/20 0.58
RECQL P46063 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
MAPK1 P28482 3/20 0.58
HTT P42858 2/20 0.58
THRB P10828 2/20 0.58

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
SCHEMBL30273063 1.00 RAB9A (1.00) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL30273064 1.00 RAB9A (1.00) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL4796372 0.86 RAB9A (0.75) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL29619354 0.85 HSD17B10 (0.87) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL651572 0.85 HSD17B10 (0.87) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL1921461 0.83 RAB9A (0.72) RAB9AALDH1A1HSD17B10HPGDKMT2A
SCHEMBL14407636 0.83 RAB9A (0.71) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL4582050 0.82 RAB9A (0.69) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL28547620 0.82 RAB9A (0.68) RAB9AALDH1A1HSD17B10HPGDCDC25B
SCHEMBL28441091 0.81 RAB9A (0.69) RAB9AALDH1A1HSD17B10HPGDCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535203-B Conjugated ligand bridged diarylamine and ruthenium-acetylene end group compound and application thereof 衡阳师范学院 2021-02-23 CN claimed
CN-108728192-A Antioxygen cleaning agent composition, Dresel fuel compositions and the method for improving diesel oil antioxygen cleansing performance 中国石油化工股份有限公司 2018-11-02 CN claimed
CN-104560242-A Anti-oxidation detergent composition, diesel oil composition and method for improving anti-oxidation property and cleaning property of diesel oil CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-102051239-B Diesel oil composition and method for improving biodiesel oxidation stability CHINA PETROLEUM & CHEMICAL 2013-11-06 CN claimed
CN-101353601-B Method for improving biodiesel antioxygen property CHINA PETROLEUM & CHEMICAL 2013-09-25 CN claimed
CN-101993743-B Additive composition, diesel composition and method for improving oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2013-03-27 CN claimed
CN-101987980-B Additive composition and diesel fuel composition as well as method for improving oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2013-03-27 CN claimed
CN-101376851-B Method for improving stabilizing ability of biodiesel CHINA PETROLEUM & CHEMICAL 2012-10-10 CN claimed
US-20120124896-A1 Diesel Composition and Method of Increasing Biodiesel Oxidation Stability RESEARCH INSTITUTE OF PETROLEUM PROCESSING, SINOPEC (CN) 2012-05-24 US claimed
EP-2447344-A1 DIESEL COMPOSITION AND PROCESS FOR IMPROVING OXIDATION STABILITY OF BIODIESEL China Petroleum & Chemical Corporation (CN) 2012-05-02 EP claimed
CN-102051240-A Additive composite, diesel oil composite and method for increasing oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2011-05-11 CN claimed
CN-102051239-A Additive composition, diesel oil composition and method for improving biodiesel oxidation stability CHINA PETROLEUM & CHEMICAL 2011-05-11 CN claimed
CN-101993744-A Additive composition, diesel composition and method for improving oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2011-03-30 CN claimed
CN-101993743-A Additive composition, diesel composition and method for improving oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2011-03-30 CN claimed
CN-101987980-A Additive composition and diesel fuel composition as well as method for improving oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2011-03-23 CN claimed
CN-101376851-A Method for improving stabilizing ability of biodiesel CHINA PETROCHEMICAL CO LTD (CN) 2009-03-04 CN claimed
CN-101353601-A Method for improving biodiesel antioxygen property CHINA PETROLEUM & CHEMICAL (CN) 2009-01-28 CN claimed
US-11800795-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-24 US disclosed
US-4122278-A INTERMEDIATES FOR DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-10-24 US disclosed
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 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-11800795-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof PIEZO1, ORAI2, OCIAD1 RAB9A 3998/4885ALDH1A1 1151/4885HSD17B10 2507/4885

“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.