SCHEMBL25907277

SCHEMBL25907277

CCc1ccc(C=O)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 3/20 0.34
PARP1 P09874 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KCNJ1 P48048 2/20 0.33
MPI P34949 1/20 0.33
ERN1 O75460 1/20 0.33
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL10162562 0.80 DHFR (0.36) ALDH1A1GAAPARP1MEN1KMT2A
SCHEMBL24932664 0.76 PARP1 (0.33) PARP1
SCHEMBL7115183 0.76 PARP1 (0.37) GAAPARP1L3MBTL1ELANENOS3
SCHEMBL1599165 0.73 CYP1A2 (0.41) ALDH1A1GAATSHRCYP1A2CYP2C19
SCHEMBL10730430 0.73 NOS3 (0.46) KDM4EPARP1MAPTL3MBTL1ELANE
SCHEMBL29955945 0.73 CYP1A2 (0.41) ALDH1A1GAATSHRCYP1A2CYP2C19
SCHEMBL30251515 0.72 ALDH1A1 (0.42) ALDH1A1GAACYP1A2CYP2C19CYP3A4
SCHEMBL4586790 0.72 ALDH1A3 (0.39) ALDH1A1GAATSHR
SCHEMBL22820311 0.71
SCHEMBL21414452 0.70

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-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 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-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ALDH1A1 1534/4885GAA 388/4885TSHR 2084/4885

“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.