SCHEMBL3431079

SCHEMBL3431079

O=C(O)CCc1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
PKM P14618 1/20 0.59
ALDH1A1 P00352 8/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 4/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 1/20 0.56
CASP1 P29466 1/20 0.56
KMT2A Q03164 1/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 4/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
LMNA P02545 6/20 0.51
TP53 P04637 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51
KLF5 Q13887 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL29127875 0.93 ALDH1A1 (0.61) TSHRPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL30667058 0.93 ALDH1A1 (0.61) TSHRPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL5717522 0.90 ALDH1A1 (0.59) TSHRPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL1430901 0.90 TRPM8 (0.65) ALDH1A1MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL1372176 0.89 ALDH1A1 (0.58) TSHRPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL25228054 0.87 TRPM8 (0.51) TSHRPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL6059400 0.86 RAB9A (0.52) TSHRPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL4698724 0.85 TSHR (0.53) TSHRALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL10751000 0.85 LMNA (0.50) TSHRALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL14569572 0.84 PTGDR2 (0.52) TSHRPKMALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626870-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS University of Copenhagen (DK) 2025-10-08 EP disclosed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-11415887-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-16 US disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
US-11187980-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-30 US disclosed
US-20210302838-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-30 US disclosed
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
CN-1221535-C Spiroimidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA GMBH (DE) 2005-10-05 CN disclosed
CN-1356986-A Spiroimidazolidine derivatives, their prepn. their use and pharmaceutical prepns. comprising them AVENTIS PHARMA GMBH (DE) 2002-07-03 CN disclosed
US-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 US disclosed
US-3962282-A JUVENILE HORMONE MIMICS ELI LILLY AND COMPANY (US) 1976-06-08 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 (3 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 TSHR 2142/4885PKM 3429/4885ALDH1A1 53/4885
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 TSHR 1286/4885PKM 1145/4885ALDH1A1 3317/4885
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 TSHR 2897/4885PKM 2475/4885ALDH1A1 1439/4885

“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.