SCHEMBL2997610

SCHEMBL2997610

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.57
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP19A1 P11511 2/20 0.47
CYP2C19 P33261 1/20 0.47
KIF11 P52732 1/20 0.46
ADAMTS4 O75173 1/20 0.43
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
GRM5 P41594 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SYK P43405 3/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
CYP1A2 P05177 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PSMB5 P28074 1/20 0.40

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
SCHEMBL2996699 0.90 ALOX5AP (0.58) ALOX5APCYP3A4CYP2D6CYP2C9ADAMTS4
SCHEMBL3000416 0.86 ALOX5AP (0.61) ALOX5APCYP3A4CYP2D6CYP2C9CYP19A1
SCHEMBL2988789 0.86 ALOX5AP (0.59) ALOX5APCYP3A4CYP2D6CYP2C9ADAMTS4
SCHEMBL2996703 0.86 ALOX5AP (0.59) ALOX5APCYP3A4CYP2D6CYP2C9ADAMTS4
SCHEMBL3000759 0.86 ALOX5AP (0.61) ALOX5APCYP2C9ADAMTS4MAPK14SMO
SCHEMBL3002224 0.85 ALOX5AP (0.59) ALOX5APCYP3A4CYP2D6CYP2C9ADAMTS4
SCHEMBL3000978 0.85 ALOX5AP (0.58) ALOX5APADAMTS4GRM5KDM4EALDH1A1
SCHEMBL3001136 0.84 ALOX5AP (0.60) ALOX5APCYP3A4CYP2D6CYP2C9ADAMTS4
SCHEMBL2990888 0.84 ALOX5AP (0.60) ALOX5APADAMTS4MAPK14SMOKDM4E
SCHEMBL2991626 0.84 ALOX5AP (0.61) ALOX5APCYP3A4CYP2D6CYP2C9CYP19A1

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
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
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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 (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 15/4885CYP3A4 1012/4885CYP2D6 905/4885

“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.