SCHEMBL18512401

SCHEMBL18512401

COC(=O)c1ccc(C(C)(C)C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.50
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
RXRB P28702 1/20 0.46
CA1 P00915 3/20 0.46

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
SCHEMBL2892428 0.89 CFTR (0.50) CFTRALDH1A1MAPTKDM4ELMNA
SCHEMBL29492892 0.89 RXRB (0.55) CFTRKIF11ALDH1A1MAPTKDM4E
SCHEMBL15110088 0.89 RXRB (0.55) CFTRKIF11ALDH1A1MAPTKDM4E
SCHEMBL13206086 0.87 KIF11 (0.48) CFTRKIF11ALDH1A1MAPTKDM4E
SCHEMBL23645185 0.87 CFTR (0.51) CFTRKIF11ALDH1A1MAPTKDM4E
SCHEMBL20556162 0.86 ALDH1A1 (0.50) CFTRALDH1A1MAPTKDM4ELMNA
SCHEMBL8724330 0.85 TDP1 (0.50) KIF11ALDH1A1MAPTHPGDRAB9A
SCHEMBL16138865 0.84 GABRA1 (0.46) KIF11ALDH1A1MAPTHPGDRAB9A
SCHEMBL13945805 0.84 CFTR (0.49) CFTRKIF11ALDH1A1MAPTKDM4E
SCHEMBL3157053 0.84 CA12 (0.62) CFTRKIF11ALDH1A1MAPTKDM4E

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
CN-112714759-A Alicyclic dicarboxylic acid metal salt having excellent dispersibility in polyolefin resin, method for producing alicyclic dicarboxylic acid metal salt, crystal nucleating agent for polyolefin resin comprising alicyclic dicarboxylic acid metal salt, crystal nucleating agent composition comprising crystal nucleating agent, polyolefin resin composition, and polyolefin resin molded product 新日本理化株式会社 2021-04-27 CN disclosed
US-20170045501-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2017-02-16 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-20170045501-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS AANAT, HNMT, CHAT CFTR 1941/4885KIF11 3696/4885ALDH1A1 298/4885

“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.