SCHEMBL4450372

SCHEMBL4450372

COc1ccc(C(O)CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
AOC3 Q16853 2/20 0.58
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HTR1A P08908 3/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL9245675 1.00 GAA (0.58) GAAAOC3ALDH1A1MAPTHTR1A
SCHEMBL9085141 0.90 AOC3 (0.56) GAAAOC3ALDH1A1MAPTHTR1A
SCHEMBL5488204 0.84 AOC3 (0.58) GAAAOC3ALDH1A1MAPTHTR1A
SCHEMBL6482817 0.83 AOC3 (0.61) GAAAOC3ALDH1A1MAPTCA12
SCHEMBL4372787 0.83 AOC3 (0.61) GAAAOC3ALDH1A1MAPTCA12
SCHEMBL17660055 0.83 AOC3 (0.61) GAAAOC3ALDH1A1MAPTCA12
SCHEMBL25189393 0.82 AOC3 (0.59) GAAAOC3ALDH1A1MAPTHTR1A
SCHEMBL6055130 0.82 AOC3 (0.56) GAAAOC3ALDH1A1MAPTHTR1A
SCHEMBL3918376 0.82 GAA (0.56) GAAAOC3ALDH1A1MAPTHTR1A
SCHEMBL9298171 0.82 AOC3 (0.61) GAAAOC3ALDH1A1MAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395983-A Process for producing 1-phenyl-1,3-propanediols having high optical purtiy CHISSO CORPORATION (JP) 1995-03-07 US claimed
CN-117820101-A Amplified preparation method of Edwan sweet 上海再启生物技术有限公司 2024-04-05 CN disclosed
CN-111875666-B Method for synthesizing Edwarden sweet 辽宁启康生物科技有限公司 2022-08-12 CN disclosed
CN-111875666-A Method for synthesizing Edwarden sweet 辽宁启康生物科技有限公司 2020-11-03 CN disclosed
CN-104169241-B Method for preparing chiral ketone from aldehyde 南洋理工大学 2016-10-05 CN disclosed
EP-2061778-A1 METHOD FOR PRODUCING CYCLIC UNSATURATED COMPOUND Nippon Shokubai Co., Ltd. (JP) 2009-05-27 EP disclosed
WO-2008023823-A1 METHOD FOR PRODUCING CYCLIC UNSATURATED COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2008-02-28 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-5395983-A Process for producing 1-phenyl-1,3-propanediols having high optical purtiy CHISSO CORPORATION (JP) 1995-03-07 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 (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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 GAA 2059/4885AOC3 872/4885ALDH1A1 3567/4885
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 GAA 3007/4885AOC3 1464/4885ALDH1A1 943/4885

“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.