SCHEMBL833981

SCHEMBL833981

Cc1ccc2c(c1O)CCC2=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ELANE P08246 4/20 0.42
CTSG P08311 1/20 0.39
TYMS P04818 1/20 0.39
GAA P10253 1/20 0.38
PBRM1 Q86U86 1/20 0.37
HSD17B1 P14061 2/20 0.37
ACHE P22303 1/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
PRKCI P41743 1/20 0.35
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL30777430 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDELANECTSG
SCHEMBL13923766 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDELANETYMS
SCHEMBL1535917 0.79 ACHE (0.56) ALDH1A1KDM4EHPGDGAAPBRM1
SCHEMBL17056471 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTYMSGAA
SCHEMBL20190017 0.76 HSD17B1 (0.44) ALDH1A1KDM4EHPGDGAAPBRM1
SCHEMBL22025585 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTYMSGAA
SCHEMBL386061 0.76 SLC22A8 (0.49) ALDH1A1KDM4EHPGDGAAPBRM1
SCHEMBL11243020 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAPBRM1
SCHEMBL6958079 0.76 KDM4E (0.67) ALDH1A1KDM4EHPGDGAAHSD17B1
SCHEMBL836908 0.73 KDM4E (0.69) ALDH1A1KDM4EHPGDTYMSGAA

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 16 patents. 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-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
EP-3853209-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2021-07-28 EP 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
WO-2020058945-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2020-03-26 WO disclosed
WO-2019175897-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION JUBILANT BIOSYS LIMITED (IN) 2019-09-19 WO disclosed
US-8378118-B2 Pyrazole-based thyroid receptor compounds TORRENT PHARMACEUTICALS LTD. (IN) 2013-02-19 US disclosed
US-20120202816-A1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS, LTD. (IN) 2012-08-09 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 ALDH1A1 1664/4885KDM4E 3112/4885HPGD 4251/4885
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION CD274, PDCD1, PDCD1LG2 ALDH1A1 86/4885KDM4E 2775/4885HPGD 1098/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 ALDH1A1 1664/4885KDM4E 3112/4885HPGD 4251/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 ALDH1A1 86/4885KDM4E 2775/4885HPGD 1098/4885

“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.