SCHEMBL9924162

SCHEMBL9924162

C=C(OCCCC)c1ccc(-c2ccc(C(C)(c3ccc(OCc4ncccn4)cn3)C(C)C)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.51
CYP2D6 P10635 2/20 0.32
CYP19A1 P11511 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL710361 0.85 ALOX5AP (0.58) ALOX5AP
SCHEMBL706833 0.82 ALOX5AP (0.72) ALOX5AP
SCHEMBL706834 0.82 ALOX5AP (0.72) ALOX5AP
SCHEMBL13230211 0.80 ALOX5AP (0.47) ALOX5APMAPT
SCHEMBL707244 0.74 ALOX5AP (0.70) ALOX5APCYP2C9
SCHEMBL14396685 0.74 ALOX5AP (0.48) ALOX5APKDM4ENPC1ALDH1A1HPGD
SCHEMBL708386 0.73 ALOX5AP (0.90) ALOX5APCYP2C9MAPTNPC1RAB9A
SCHEMBL708385 0.73 ALOX5AP (0.90) ALOX5APCYP2C9MAPTNPC1RAB9A
SCHEMBL708933 0.73 ALOX5AP (0.48) ALOX5APRAB9AL3MBTL1
SCHEMBL2997218 0.73 ALOX5AP (0.55) ALOX5APMAPTKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885CYP2D6 616/4885CYP19A1 792/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885CYP2D6 616/4885CYP19A1 792/4885

“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.