SCHEMBL480316

SCHEMBL480316

Cc1ccc(C)n1-c1ccc(Cl)nn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 2/20 0.44
BPTF Q12830 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 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
SCHEMBL19565802 0.77 ALDH1A1 (0.41) KMT2ASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL1775854 0.71 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL19564464 0.71 KDM4E (0.37) KDM4EALDH1A1L3MBTL1
SCHEMBL13233395 0.69 ALDH1A1 (0.46) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL111337 0.69
SCHEMBL1455672 0.68 HTR3E (0.50) CYP1A2KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL24240194 0.67 SMN1; SMN2 (0.44) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL11453007 0.67 SMN1; SMN2 (0.48) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL11179382 0.67 ALDH1A1 (0.51) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL22855179 0.67 TDP1 (0.39) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
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-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP 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
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
CN-101466677-A Diaryl substituted alkanes MERCK & CO INC (US) 2009-06-24 CN disclosed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 WO disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO 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 (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-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 CYP1A2 301/4885KMT2A 3411/4885BPTF 1671/4885

“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.