SCHEMBL12376492

SCHEMBL12376492

CC(C)c1ccc2c(c1)CCC(O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KARS1 Q15046 3/20 0.42
RXRA P19793 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CYP3A4 P08684 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12376490 0.93 KARS1 (0.42) CYP1A2CYP11B1CYP11B2KARS1RXRA
SCHEMBL24648949 0.85 CHRNB2 (0.41) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15087102 0.84 PTGS2 (0.44) CYP1A2CYP11B1CYP11B2KMT2ATSHR
SCHEMBL24402988 0.81 L3MBTL1 (0.44) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20884058 0.80 DRD2 (0.54) DRD2DRD3
SCHEMBL26298479 0.79 CYP3A4 (0.39) KARS1RXRACCNE1CDK2RXRB
SCHEMBL3464968 0.79 CYP3A4 (0.39) KARS1RXRACCNE1CDK2RXRB
SCHEMBL22672571 0.78 KARS1 (0.46) CYP1A2KARS1RXRACCNE1CDK2
SCHEMBL20884971 0.77 DRD2 (0.43) KARS1RXRACCNE1CDK2RXRB
SCHEMBL13711473 0.77 CYP3A4 (0.50) CYP1A2CYP11B1CYP11B2KARS1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-8436016-B2 Fused heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. 2013-05-07 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CYP1A2 3179/4885CYP11B1 1419/4885CYP11B2 1106/4885
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 CYP1A2 535/4885CYP11B1 824/4885CYP11B2 1123/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 CYP1A2 865/4885CYP11B1 187/4885CYP11B2 133/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CYP1A2 3179/4885CYP11B1 1419/4885CYP11B2 1106/4885

“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.