SCHEMBL907688

SCHEMBL907688

O=C(O)C1CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.60
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNQ2 O43526 1/20 0.48
CYP11B2 P19099 1/20 0.46
HTT P42858 1/20 0.45
IDO1 P14902 1/20 0.44
PDPK1 O15530 1/20 0.44
ACP3 P15309 1/20 0.44

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
SCHEMBL12431131 1.00 PIN1 (0.60) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL1400973 1.00 PIN1 (0.60) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL2790690 1.00 PIN1 (0.60) PIN1TSHRNPSR1KCNQ2CYP11B2
Hydrochloric Acid SCHEMBL7213722 0.98 PIN1 (0.58) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL11215754 0.98 PIN1 (0.58) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL2792830 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL2796237 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL29608780 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL29706163 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL242244 0.89 HTT (0.54) PIN1TSHRNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279170-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2023-09-07 US claimed
CN-101397247-B Indan-1-carboxylic acid synthesis method of bulk drug for clidanic acid UNIV TIANJIN 2012-05-16 CN claimed
US-7863308-B2 Substituted thiophenes AUSPEX PHARMACEUTICALS, INC. (US) 2011-01-04 US claimed
CN-101730694-A Substituted deuterium enriched thiophenes for the treatment of hypertension AUSPEX PHARMACEUTICALS INC 2010-06-09 CN claimed
EP-2144903-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION Auspex Pharmaceuticals Inc. (US) 2010-01-20 EP claimed
EP-2132199-A1 SUBSTITUTED PYRIMIDINES Auspex Pharmaceuticals Inc. (US) 2009-12-16 EP claimed
CN-101397247-A Method for synthesizing raw medicine dihydroindene-1-carboxyl acid for clidabac UNIV TIANJIN (CN) 2009-04-01 CN claimed
WO-2008124803-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 WO claimed
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 US claimed
WO-2008122020-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-09 WO claimed
US-20080242687-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-02 US claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
CN-86103879-A Provide the method for 2-arylpropionic acid for oneself 1987-04-08 CN claimed
US-4416879-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US claimed
EP-0007319-B1 INDAN-1-CARBOXYLIC ACID DERIVATIVES,PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-16 EP claimed
JP-53132549-A None JP disclosed
JP-54119442-A None JP disclosed
US-3886207-A Process for producing indan-1-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES LTD 1975-05-27 US disclosed
US-3886207-A Process for producing indan-1-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES LTD 1975-05-27 US disclosed
US-3870752-A ACYL SUBSTITUTED INDANE CARBOXYLIC ACIDS SANDOZ AG 1975-03-11 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 PIN1 2745/4885TSHR 1495/4885NPSR1 22/4885
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder EDNRA, EDNRB, TBXA2R PIN1 4810/4885TSHR 107/4885NPSR1 33/4885
US-20080242687-A1 SUBSTITUTED PYRIMIDINES EDNRB, EDNRA, ECE1 PIN1 4392/4885TSHR 3210/4885NPSR1 281/4885

“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.