SCHEMBL6816982

SCHEMBL6816982

COc1cc(O)c2c(c1)CCC2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
GLA P06280 1/20 0.49
ELANE P08246 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
KDR P35968 6/20 0.46
FLT4 P35916 5/20 0.46
FLT3 P36888 5/20 0.46
KIT P10721 5/20 0.46
PDGFRA P16234 5/20 0.46
ACVRL1 P37023 4/20 0.46
PDGFRB P09619 2/20 0.46
MAP2K1 Q02750 2/20 0.46
MAP2K2 P36507 2/20 0.46
ALK Q9UM73 2/20 0.46
FLT1 P17948 1/20 0.46

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
SCHEMBL7340707 0.90 KDM4E (0.54) KDM4EGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL7639538 0.84 KDM4E (0.49) KDM4EGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL16226095 0.84 KDM4E (0.56) KDM4EGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL23599375 0.81 MAOA (0.40) KDM4EGAASMN1; SMN2ALDH1A1GLA
SCHEMBL12261421 0.80 KDM4E (0.45) KDM4EGAASMN1; SMN2ALDH1A1GLA
SCHEMBL1274286 0.80 ALDH1A1 (0.55) KDM4EGAAALDH1A1GLAELANE
SCHEMBL29385499 0.80 KDM4E (0.45) KDM4EGAASMN1; SMN2ALDH1A1GLA
SCHEMBL4179706 0.79 PBRM1 (0.44) SMN1; SMN2ALDH1A1MAPTCYP3A4
SCHEMBL12310550 0.79 TUBB4A (0.39) KDM4EGAASMN1; SMN2ALDH1A1GLA
SCHEMBL21098798 0.79 MAOA (0.38) KDM4EGAASMN1; SMN2ALDH1A1GLA

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 10 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
EP-3765453-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC (US) 2021-01-20 EP 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
WO-2019175897-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION JUBILANT BIOSYS LIMITED (IN) 2019-09-19 WO disclosed
WO-2004011446-A1 INDANE, DIHYDROBENZOFURAN, AND TETRAHYDRONAPHTHALENE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2004-02-05 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 (2 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-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION CD274, PDCD1, PDCD1LG2 KDM4E 2775/4885GAA 1553/4885SMN1; SMN2 2891/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 KDM4E 2775/4885GAA 1553/4885SMN1; 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.