SCHEMBL2323653

SCHEMBL2323653

COc1cc(CNCC(=O)O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
TSHR P16473 2/20 0.65
GAA P10253 1/20 0.65
NFKB1 P19838 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALOX5 P09917 1/20 0.56
OR51E2 Q9H255 1/20 0.56
TRPV1 Q8NER1 3/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
MAPK1 P28482 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MTNR1A P48039 1/20 0.51

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
SCHEMBL3211191 0.88 ALDH1A1 (0.61) ALDH1A1TSHRGAANFKB1TDP1
SCHEMBL5940445 0.88 ALDH1A1 (0.64) ALDH1A1TDP1
SCHEMBL5833247 0.85 TAAR1 (0.62) ALDH1A1TSHRGAANFKB1TDP1
SCHEMBL7768865 0.82 FOS (0.62) ALDH1A1TSHRGAANFKB1TDP1
SCHEMBL11069853 0.81 GAA (0.67) ALDH1A1TSHRGAANFKB1TDP1
SCHEMBL297477 0.81 ALDH1A1 (0.64) ALDH1A1TSHRGAANFKB1TDP1
SCHEMBL28057106 0.81 TRPV1 (0.71) ALDH1A1TSHRGAAALOX5TRPV1
SCHEMBL11856806 0.81 TAAR1 (0.57) ALDH1A1TSHRGAANFKB1TDP1
Undecanoate SCHEMBL28314051 0.80 CYP1A2 (0.67) ALDH1A1TRPV1CYP1A2CYP3A4CYP2D6
SCHEMBL2663140 0.80 ALDH1A1 (0.51) ALDH1A1TSHRGAANFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118866141-A Metabolic-study-based method for determining origin tracing of wild chubs in Yangtze river and application 中国水产科学研究院长江水产研究所 2024-10-29 CN claimed
EP-2353016-A1 NON-HUMAN ANIMALS HAVING PSYCHIATRIC DISORDERS, METHOD FOR OBTAINING SAME, AND USE THEREOF FOR DRUG SCREENING Université Henri Poincaré Nancy 1 (FR) 2011-08-10 EP claimed
WO-2010034960-A1 NON-HUMAN ANIMALS HAVING PSYCHIATRIC DISORDERS, METHOD FOR OBTAINING SAME, AND USE THEREOF FOR DRUG SCREENING UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2010-04-01 WO claimed
CN-122055354-A Lipid compounds and related compositions and uses 波西达治疗公司 2026-05-15 CN disclosed
CN-118866141-A Metabolic-study-based method for determining origin tracing of wild chubs in Yangtze river and application 中国水产科学研究院长江水产研究所 2024-10-29 CN disclosed
CN-118225951-A Marker group for major depressive disorder and screening method and application thereof 上海大学 2024-06-21 CN disclosed
EP-2008110-B1 METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES UNIVERSITÉ HENRI POINCARÉ NANCY 1 (FR) 2017-03-22 EP disclosed
EP-2353016-A1 NON-HUMAN ANIMALS HAVING PSYCHIATRIC DISORDERS, METHOD FOR OBTAINING SAME, AND USE THEREOF FOR DRUG SCREENING Université Henri Poincaré Nancy 1 (FR) 2011-08-10 EP disclosed
WO-2010034960-A1 NON-HUMAN ANIMALS HAVING PSYCHIATRIC DISORDERS, METHOD FOR OBTAINING SAME, AND USE THEREOF FOR DRUG SCREENING UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2010-04-01 WO disclosed
US-20100028901-A1 METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES AURE (FR) 2010-02-04 US disclosed
EP-2008110-A2 METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES AURE (FR) 2008-12-31 EP disclosed
WO-2007119004-A2 METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES AURE (FR) 2007-10-25 WO 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-20100028901-A1 METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES DBH, CRH, SI ALDH1A1 1095/4885TSHR 3056/4885GAA 1175/4885

“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.