SCHEMBL25836327

SCHEMBL25836327

CCc1cccc2c(OC)cncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP19A1 P11511 2/20 0.36
AR P10275 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL19725752 0.80 GABRA1 (0.41) CYP2C9HIF1ACYP1A2CYP3A4CYP2D6
SCHEMBL3581544 0.80 ATM (0.49) CYP2C9HIF1AKDM4EHPGDL3MBTL1
SCHEMBL19660435 0.77 CYP2A6 (0.44) CYP1A2KDM4EALDH1A1HPGDPDE10A
SCHEMBL21783630 0.75 IDO1 (0.53) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21783631 0.74 ATP4A (0.38) CYP2C9HIF1ACYP1A2CYP3A4CYP2C19
SCHEMBL21783690 0.72 APP (0.38) CYP1A2CYP3A4KDM4EALDH1A1PDE10A
SCHEMBL21237268 0.72 CA2 (0.35) CYP2C9HIF1ACYP1A2CYP3A4CYP2D6
SCHEMBL8429646 0.72 CYP2C9 (0.57) CYP2C9HIF1ACYP1A2CYP3A4KDM4E
SCHEMBL29071977 0.70 L3MBTL1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL3238496 0.70 GABRA1 (0.57) CYP1A2CYP2D6CYP2C19ALDH1A1HTT

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-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 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-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 CYP2C9 4719/4885HIF1A 1419/4885CYP1A2 4839/4885

“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.