SCHEMBL5101721

SCHEMBL5101721

CC(=O)Nc1ccccc1CCO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
BRD4 O60885 1/20 0.45
HSD17B10 Q99714 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
MAOA P21397 1/20 0.44
TSPO P30536 1/20 0.43

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
SCHEMBL8419387 0.89 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL1644885 0.85 MAPK1 (0.59) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL11254093 0.85 ALDH1A1 (0.46) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL30168125 0.85 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL3150784 0.85 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL8421119 0.84 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL4190286 0.84 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL1404979 0.84 ALDH1A1 (0.54) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL11766148 0.84 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL7236261 0.83 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1TSHRHTT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106635199-B Reduce the additive of alcohol-based fuel pollutant emission 山西医科大学 2018-04-24 CN claimed
CN-106753619-B Low ratio methanol gasoline additive 甘肃桑田清洁能源开发有限公司 2018-03-09 CN claimed
CN-106753619-A Low ratio methanol gasoline additive 甘肃桑田清洁能源开发有限公司 2017-05-31 CN claimed
CN-106635199-A Additive for reducing discharge of alcohol-based fuel pollutants 郭四虎 2017-05-10 CN claimed
CN-116768746-A Method for synthesizing chiral 2-amido benzhydrol by iridium catalysis 中国科学院大连化学物理研究所 2023-09-19 CN disclosed
CN-106635199-B Reduce the additive of alcohol-based fuel pollutant emission 山西医科大学 2018-04-24 CN disclosed
CN-106753619-B Low ratio methanol gasoline additive 甘肃桑田清洁能源开发有限公司 2018-03-09 CN disclosed
CN-106753619-A Low ratio methanol gasoline additive 甘肃桑田清洁能源开发有限公司 2017-05-31 CN disclosed
CN-106635199-A Additive for reducing discharge of alcohol-based fuel pollutants 郭四虎 2017-05-10 CN disclosed
CN-106635199-A Additive for reducing discharge of alcohol-based fuel pollutants 郭四虎 2017-05-10 CN disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
EP-1597260-B1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-12-27 EP disclosed
US-7119088-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
US-20060194794-A1 Triazole compounds useful in therapy PFIZER INC 2006-08-31 US disclosed
CN-1751047-A Triazole compounds useful in therapy PFIZER (US) 2006-03-22 CN disclosed
EP-1597260-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2005-11-23 EP disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 WO disclosed
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP 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-20060194794-A1 Triazole compounds useful in therapy CYP3A43, CYP3A5, CYP3A7 ALDH1A1 940/4885HPGD 895/4885MAPK1 4646/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 ALDH1A1 1425/4885HPGD 621/4885MAPK1 2153/4885

“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.