SCHEMBL12443254

SCHEMBL12443254

CC(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.80
▸ ALDH1A1 P00352 7/20 0.69
▸ LMNA P02545 3/20 0.69
▸ NPC1 O15118 1/20 0.69
▸ MAPK1 P28482 2/20 0.62
▸ ROCK2 O75116 1/20 0.62
▸ RPS6KA5 O75582 1/20 0.62
▸ MAP4K4 O95819 1/20 0.62
▸ CDK1 P06493 1/20 0.62
▸ CSF1R P07333 1/20 0.62
▸ PRKACA P17612 1/20 0.62
▸ FLT1 P17948 1/20 0.62
▸ RPS6KB1 P23443 1/20 0.62
▸ CDK2 P24941 1/20 0.62
▸ AKT1 P31749 1/20 0.62
▸ FLT4 P35916 1/20 0.62
▸ KDR P35968 1/20 0.62
▸ FLT3 P36888 1/20 0.62
▸ GSK3A P49840 1/20 0.62
▸ GSK3B P49841 1/20 0.62

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
SCHEMBL1101522 0.86 ALDH1A1 (0.77) NR1H4ALDH1A1LMNANPC1MAPK1
SCHEMBL751213 0.86 ALDH1A1 (0.77) NR1H4ALDH1A1LMNANPC1MAPK1
SCHEMBL5968858 0.86 ALDH1A1 (0.77) NR1H4ALDH1A1LMNANPC1MAPK1
SCHEMBL18467235 0.86 ALDH1A1 (0.68) NR1H4ALDH1A1LMNANPC1MAPK1
SCHEMBL2410420 0.86 NR1H4 (0.78) NR1H4ALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL28830857 0.85 HPGDS (0.68) NR1H4ALDH1A1LMNANPC1GAA
SCHEMBL3756762 0.83 ALDH1A1 (0.73) NR1H4ALDH1A1LMNANPC1MAPK1
SCHEMBL3755011 0.83 ALDH1A1 (0.73) NR1H4ALDH1A1LMNANPC1MAPK1
SCHEMBL2919150 0.83 ALDH1A1 (0.73) NR1H4ALDH1A1LMNANPC1MAPK1
SCHEMBL17369057 0.83 ALDH1A1 (0.73) NR1H4ALDH1A1LMNANPC1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 NR1H4 971/4885ALDH1A1 3932/4885LMNA 4132/4885

“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.

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