SCHEMBL709581

SCHEMBL709581

CCOC(=O)c1cc(-c2ccc(C(C)(c3ccc(OCc4ccccn4)cn3)C(C)C)cc2)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.56
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 10/20 0.42
PPARG P37231 1/20 0.41
ACR P10323 1/20 0.41
ADAMTS4 O75173 1/20 0.39
MAPK1 P28482 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SMPD1 P17405 1/20 0.37

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
SCHEMBL2988778 0.92 ALOX5AP (0.50) ALOX5APRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9924107 0.86 ALOX5AP (0.57) ALOX5APRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL707916 0.85 ALOX5AP (0.66) ALOX5APRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL708341 0.85 ALOX5AP (0.59) ALOX5APRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL707915 0.85 ALOX5AP (0.66) ALOX5APRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL707122 0.83 ALOX5AP (0.56) ALOX5APRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9925576 0.81 ALOX5AP (0.56) ALOX5APRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL705042 0.79 ALOX5AP (0.52) ALOX5APRAB9ANPC1MAPTADAMTS4
SCHEMBL705041 0.79 ALOX5AP (0.52) ALOX5APRAB9ANPC1MAPTADAMTS4
SCHEMBL14397112 0.78 ALOX5AP (0.61) ALOX5APRAB9ASMN1; SMN2NPC1ADAMTS4

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-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007120574-A2 DIARYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2007-10-25 WO 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885RAB9A 3888/4885SMN1; SMN2 4564/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885RAB9A 3888/4885SMN1; SMN2 4564/4885

“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.