SCHEMBL21523926

SCHEMBL21523926

CCCc1cc(C(C)(C)C)ccc1ON

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
HTR1D P28221 4/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL10961574 0.84 GABRA1 (0.46) ATML3MBTL1ALDH1A1SMN1; SMN2PPARG
SCHEMBL19196801 0.76 ALDH1A1 (0.43) ATMMAPK1NPSR1MAPTALDH1A1
SCHEMBL8567630 0.75 SLC6A4 (0.39) ATMMAPK1MAPTL3MBTL1ALDH1A1
SCHEMBL27935806 0.75 HTR2A (0.41) PPARDPPARAMEN1KMT2AHTT
SCHEMBL21449928 0.74 CYP2D6 (0.41) ATMMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL19204117 0.74 ALDH1A1 (0.44) MAPK1NPSR1MAPTALDH1A1LMNA
SCHEMBL11348933 0.73 HTR2A (0.47) PPARDPPARA
SCHEMBL800010 0.73 SMN1; SMN2 (0.49) MAPK1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL20207510 0.73 CYP2D6 (0.40) MAPK1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5165521 0.73 CYP2D6 (0.61) MAPTALDH1A1SMN1; SMN2CYP2D6CYP2C19

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-10457655-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-29 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-10457655-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ATM 3716/4885CA1 2375/4885CA2 2965/4885

“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.