SCHEMBL1723364

SCHEMBL1723364

O=C(O)CCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.72
ALDH1A1 P00352 4/20 0.72
HPGD P15428 3/20 0.72
TSHR P16473 3/20 0.72
LMNA P02545 3/20 0.72
CYP2C9 P11712 2/20 0.72
NFKB1 P19838 2/20 0.72
PMP22 Q01453 2/20 0.72
GLA P06280 1/20 0.72
CYP2C19 P33261 1/20 0.71
HTR2C P28335 6/20 0.67
HTR1A P08908 4/20 0.65
HTR2A P28223 4/20 0.65
HTR2B P41595 3/20 0.65
CYP2D6 P10635 3/20 0.65
CYP3A4 P08684 3/20 0.65
HTR1D P28221 3/20 0.65
CYP1A2 P05177 2/20 0.65
HTR7 P34969 2/20 0.65
HTR3E A5X5Y0 1/20 0.65

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
SCHEMBL1270126 0.91 NPSR1 (0.68) NPSR1ALDH1A1HPGDTSHRLMNA
SCHEMBL15323483 0.88 HTR2C (0.65) NPSR1ALDH1A1HPGDTSHRLMNA
Serotonin SCHEMBL28672129 0.86 HTR2C (0.76) NPSR1ALDH1A1HPGDTSHRLMNA
Serotonin SCHEMBL28661389 0.86 HTR2C (0.76) NPSR1ALDH1A1HPGDTSHRLMNA
Serotonin SCHEMBL9166747 0.85 HTR2C (0.74) NPSR1ALDH1A1HPGDTSHRLMNA
SCHEMBL29350604 0.84 NPSR1 (1.00) NPSR1ALDH1A1HPGDTSHRLMNA
SCHEMBL138121 0.84 NPSR1 (1.00) NPSR1ALDH1A1HPGDTSHRLMNA
Bufobutanoic Acid SCHEMBL29679385 0.84 TRPV1 (0.71) NPSR1ALDH1A1HPGDLMNACYP2D6
Bufobutanoic Acid SCHEMBL22804772 0.84 TRPV1 (0.71) NPSR1ALDH1A1HPGDLMNACYP2D6
SCHEMBL6222630 0.84 KDM4E (0.64) NPSR1ALDH1A1HPGDTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344114-A2 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR The Procter & Gamble Company (US) 2011-07-20 EP claimed
WO-2010054343-A2 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR THE PROCTER & GAMBLE COMPANY (US) 2010-05-14 WO claimed
US-12145923-B2 Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-11-19 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed
CN-111712491-B Tetrahydroisoquinoline compounds, preparation method thereof, pharmaceutical composition containing compounds and application of compounds 中国科学院上海药物研究所 2023-11-17 CN disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 US disclosed
EP-3813766-A1 SCALP CARE COMPOSITION WITH WELL DISPERSED PARTICULATE SCALP BENEFIT AGENTS The Procter & Gamble Company (US) 2021-05-05 EP disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 US disclosed
US-20100120871-A1 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR THE PROCTER & GAMBLE COMPANY 2010-05-13 US disclosed
WO-2010042918-A1 BIOCOMPATIBLE POLYMERS FOR MEDICAL DEVICES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-04-15 WO disclosed
EP-2061886-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES The University of British Columbia (CA) 2009-05-27 EP disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
WO-2008151434-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-12-18 WO disclosed
WO-2008022444-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-02-28 WO disclosed
CN-1829709-A Bicyclic imidazol derivatives against flaviviridae GENELABS TECH INC (US) 2006-09-06 CN disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (4 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 NPSR1 4443/4885ALDH1A1 2299/4885HPGD 3746/4885
US-12145923-B2 Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof PDE4B, PDE7B, PDE4A NPSR1 3755/4885ALDH1A1 1376/4885HPGD 471/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 NPSR1 4443/4885ALDH1A1 2299/4885HPGD 3746/4885
US-20100120871-A1 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR SHH, FSCN1, CUTA NPSR1 3202/4885ALDH1A1 1738/4885HPGD 3384/4885

“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.