SCHEMBL2996014

SCHEMBL2996014

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2noc(C3(NC(=O)O)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.46
ADAMTS4 O75173 1/20 0.42
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
ALOX5 P09917 1/20 0.41
MAPK14 Q16539 5/20 0.40
SMO Q99835 5/20 0.40
KIT P10721 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
MDM2 Q00987 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL3000791 0.86 ALOX5AP (0.49) ALOX5APADAMTS4PPARDPPARAALOX5
SCHEMBL3658493 0.84 ALOX5AP (0.45) ALOX5APADAMTS4PPARDPPARAALOX5
SCHEMBL2991804 0.84 ALOX5AP (0.47) ALOX5APADAMTS4PPARDPPARAALOX5
SCHEMBL2995488 0.82 ALOX5AP (0.49) ALOX5APADAMTS4PPARDPPARAALOX5
SCHEMBL2988831 0.81 ALOX5AP (0.52) ALOX5APPPARDPPARAMAPK14SMO
SCHEMBL3658436 0.79 ALOX5AP (0.47) ALOX5APADAMTS4PPARDPPARAALOX5
SCHEMBL2993255 0.79 ALOX5AP (0.56) ALOX5APADAMTS4PPARDPPARAALOX5
SCHEMBL2994239 0.79 ALOX5AP (0.51) ALOX5APPPARDPPARALMNASMN1; SMN2
SCHEMBL13248399 0.78 ALOX5AP (0.50) ALOX5APPPARDPPARASMN1; SMN2
SCHEMBL3003924 0.77 ALOX5AP (0.49) ALOX5APPPARDPPARALMNAPKM

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
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885ADAMTS4 1336/4885PPARD 1533/4885

“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.