SCHEMBL9865067

SCHEMBL9865067

C=CC(=O)NC(C)(C)CC(C)CC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
PIK3CD O00329 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
SCHEMBL1073217 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL3447697 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1284022 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL9801852 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL23207822 0.80 TSHR (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL27973107 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL5225500 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL24818335 0.79 PKM (0.32) ALDH1A1PIK3CD
SCHEMBL460924 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Iodide SCHEMBL11829332 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
EP-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP 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-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC ALDH1A1 3413/4885CYP3A4 4863/4885CYP2C9 4884/4885

“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.