SCHEMBL835857

SCHEMBL835857

O=Cc1cc(Cl)c(O)c2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.48
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MPI P34949 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL30777425 1.00 ERN1 (0.48) ERN1ALDH1A1MEN1KMT2ATDP1
Valine SCHEMBL21359689 0.82 SLC7A5 (0.38) ERN1
SCHEMBL24133365 0.79 ERN1 (0.50) ERN1
SCHEMBL835332 0.79 ERN1 (0.45) ERN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL835754 0.74 MEN1 (0.48) ERN1ALDH1A1MEN1KMT2ATDP1
SCHEMBL9358193 0.74 CYP1A2 (0.41) ERN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL647462 0.72 ERN1 (0.50) ERN1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21749483 0.71 THRB (0.43) ALDH1A1MEN1KMT2ATDP1HSD17B10
SCHEMBL21357938 0.70 MEN1 (0.39) ERN1ALDH1A1MEN1KMT2ATDP1
SCHEMBL30777418 0.70 MEN1 (0.39) ERN1ALDH1A1MEN1KMT2ATDP1

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 13 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
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-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
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

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 ERN1 3029/4885ALDH1A1 1664/4885MEN1 541/4885
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION CD274, PDCD1, PDCD1LG2 ERN1 2506/4885ALDH1A1 86/4885MEN1 1016/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 ERN1 3029/4885ALDH1A1 1664/4885MEN1 541/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 ERN1 2506/4885ALDH1A1 86/4885MEN1 1016/4885

“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.