SCHEMBL10150438

SCHEMBL10150438

C=CCC(C)OC(=O)c1c(C)cc(C)c(Cl)c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL10150596 1.00 L3MBTL1 (0.33) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL10150441 1.00 L3MBTL1 (0.33) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL10150445 0.90 ALDH1A1 (0.35) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL10150453 0.87 MAPT (0.33) MAPTKDM4EALDH1A1LMNAGLA
SCHEMBL10150613 0.87 L3MBTL1 (0.32) L3MBTL1
SCHEMBL10150454 0.83 HSP90AA1 (0.33)
SCHEMBL10150593 0.81 CRHR1 (0.36) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL10150432 0.81 CRHR1 (0.36) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL12142624 0.81 CRHR1 (0.36) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL10150601 0.80 CYP2C19 (0.39) MAPTALDH1A1LMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 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 (1 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P L3MBTL1 4351/4885MAPT 1982/4885KDM4E 4362/4885

“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.