SCHEMBL962749

SCHEMBL962749

CC/C(=C\c1c(C)nn(C)c1-c1cn(C)c2ccccc12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CREBBP Q92793 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL962750 1.00 ATM (0.39) ATMCREBBPLMNAALDH1A1HPGD
SCHEMBL966984 0.80 ALDH1A1 (0.49) CREBBPALDH1A1HPGDCCNT1CDK9
SCHEMBL966986 0.80 ALDH1A1 (0.49) CREBBPALDH1A1HPGDCCNT1CDK9
SCHEMBL964621 0.79 ALDH1A1 (0.48) CREBBPLMNAALDH1A1HPGDCCNT1
SCHEMBL962748 0.78 ALDH1A1 (0.42) ATMCREBBPLMNAALDH1A1HPGD
SCHEMBL964450 0.76 NPC1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL964449 0.76 NPC1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL964008 0.75 ALDH1A1 (0.34) ATMLMNAALDH1A1HPGDCA12
SCHEMBL964006 0.75 ALDH1A1 (0.34) ATMLMNAALDH1A1HPGDCA12
SCHEMBL2134418 0.74 KMT2A (0.57) ATMLMNAALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ATM 4398/4885CREBBP 326/4885LMNA 3461/4885

“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.