SCHEMBL835332

SCHEMBL835332

Cc1cc(C=O)c2c(c1O)CCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.45
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL647462 0.85 ERN1 (0.50) ERN1ALDH1A1SMN1; SMN2CYP2C9MEN1
SCHEMBL24133365 0.81 ERN1 (0.50) ERN1
SCHEMBL30777425 0.79 ERN1 (0.48) ERN1ALDH1A1SMN1; SMN2CYP2C9MEN1
SCHEMBL835857 0.79 ERN1 (0.48) ERN1ALDH1A1SMN1; SMN2CYP2C9MEN1
SCHEMBL9358193 0.79 CYP1A2 (0.41) ERN1ALDH1A1SMN1; SMN2CYP2C9MEN1
SCHEMBL5663380 0.75 CYP1A2 (0.41) ERN1ALDH1A1SMN1; SMN2CYP2C9MEN1
SCHEMBL30777418 0.75 MEN1 (0.39) ERN1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL21357938 0.75 MEN1 (0.39) ERN1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL21730241 0.74 CA1 (0.42) ALDH1A1CYP2C9MEN1KMT2ACA1
SCHEMBL834457 0.74 MEN1 (0.50) ERN1ALDH1A1SMN1; SMN2CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN disclosed
US-11560357-B2 Methods of producing pyrazole compounds TORRENT PHARMACEUTICALS LIMITED (IN) 2023-01-24 US disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 US disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 US disclosed
US-20220033358-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2022-02-03 US disclosed
EP-3853209-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2021-07-28 EP disclosed
CN-113166069-A Process for producing pyrazole compound 托伦特药物有限公司 2021-07-23 CN disclosed
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC 2021-01-21 US disclosed
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC 2021-01-21 US disclosed
CN-112105610-A Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2020-12-18 CN disclosed
US-8143424-B2 Thyroid like compounds TORRENT PHARMACEUTICALS LTD. (IN) 2012-03-27 US disclosed
EP-2061766-B1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2010-08-18 EP disclosed
CN-101772487-A Novel compound TORRENT PHARMACEUTICALS LTD 2010-07-07 CN disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 US disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 US disclosed
EP-2061766-A2 NOVEL COMPOUNDS Torrent Pharmaceuticals Ltd (IN) 2009-05-27 EP disclosed
WO-2008149379-A2 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD. (IN) 2008-12-11 WO disclosed
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP 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 (6 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-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof TSHR, THRA, THRB ERN1 3194/4885ALDH1A1 3008/4885SMN1; SMN2 4855/4885
US-11560357-B2 Methods of producing pyrazole compounds TPO, TSHR, PDXK ERN1 2512/4885ALDH1A1 526/4885SMN1; SMN2 4811/4885
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION CD274, PDCD1, PDCD1LG2 ERN1 2506/4885ALDH1A1 86/4885SMN1; SMN2 2891/4885
US-20220033358-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TPO, TSHR, PDXK ERN1 2512/4885ALDH1A1 526/4885SMN1; SMN2 4811/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 ERN1 3029/4885ALDH1A1 1664/4885SMN1; SMN2 4849/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 ERN1 2506/4885ALDH1A1 86/4885SMN1; SMN2 2891/4885

“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.