SCHEMBL9844229

SCHEMBL9844229

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)N(CCC#N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
SOAT2 O75908 2/20 0.52
SOAT1 P35610 2/20 0.52
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.44
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6899771 0.87 SOAT1 (0.62) SOAT2SOAT1SMN1; SMN2LMNAKMT2A
SCHEMBL9844078 0.86 SOAT1 (0.56) SOAT2SOAT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13328398 0.85 SOAT2 (0.55) SOAT2SOAT1SMN1; SMN2LMNAKMT2A
SCHEMBL2147650 0.78 KMT2A (0.65) SOAT2SOAT1SMN1; SMN2LMNAKMT2A
SCHEMBL11143056 0.76 ALDH1A1 (0.58) SOAT2SOAT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9681145 0.76 SOAT2 (0.56) SOAT2SOAT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9844236 0.75 SMN1; SMN2 (0.57) SOAT2SOAT1SMN1; SMN2LMNAKMT2A
SCHEMBL13472622 0.74 POLB (0.62) POLBALDH1A1GAATP53LIMK1
SCHEMBL9680211 0.74 SOAT2 (0.52) SOAT2SOAT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9679656 0.74 SOAT2 (0.60) SOAT2SOAT1SMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP claimed
US-20130178446-A1 METHOD FOR DECREASING SEBUM PRODUCTION MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-07-11 US disclosed
US-20130178446-A1 METHOD FOR DECREASING SEBUM PRODUCTION MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-07-11 US disclosed
US-8409595-B2 Method for decreasing sebum production MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-04-02 US disclosed
US-8409595-B2 Method for decreasing sebum production MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-04-02 US disclosed
US-20100113601-A1 METHOD FOR DECREASING SEBUM PRODUCTION GRACEWAY PHARMACEUTICALS, LLC (US) 2010-05-06 US disclosed
US-20100113601-A1 METHOD FOR DECREASING SEBUM PRODUCTION GRACEWAY PHARMACEUTICALS, LLC (US) 2010-05-06 US disclosed
US-7615230-B2 Topical applying N-benzyl-N'-(2,6-diisopropyl-phenyl)-N-isopropyl-malonamide as ACAT inhibitor to treat oily skin; acylcoenzyme a cholesterol acyltransferase (ACAT) GRACEWAY PHARMACEUTICALS, LLC (US) 2009-11-10 US disclosed
US-7615230-B2 Topical applying N-benzyl-N'-(2,6-diisopropyl-phenyl)-N-isopropyl-malonamide as ACAT inhibitor to treat oily skin; acylcoenzyme a cholesterol acyltransferase (ACAT) GRACEWAY PHARMACEUTICALS, LLC (US) 2009-11-10 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 (2 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-20130178446-A1 METHOD FOR DECREASING SEBUM PRODUCTION ACAT2, ACAT1, ACOT7 POLB 2694/4885SOAT2 28/4885SOAT1 17/4885
US-20100113601-A1 METHOD FOR DECREASING SEBUM PRODUCTION ACAT2, ACAT1, ACOT7 POLB 2694/4885SOAT2 28/4885SOAT1 17/4885

“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.