SCHEMBL2993073

SCHEMBL2993073

COC(=O)c1ccc(C(C)(c2ccc(OCc3ncccn3)cc2)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 6/20 0.46
NR1H4 Q96RI1 2/20 0.45
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.42
ALOX5AP P20292 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2248223 0.87 ALOX5AP (0.55) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2989839 0.82 ACACB (0.48) MAPTRAB9ANR1H4NPC1SMN1; SMN2
SCHEMBL2243522 0.78 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10196913 0.78 ALOX5AP (0.64) MEN1KMT2AALOX5AP
SCHEMBL704993 0.78 ALOX5AP (0.61) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2253360 0.78 CA1 (0.65) MAPTMEN1KMT2AGAATSHR
SCHEMBL3000768 0.78 MAOB (0.43) RAB9ANR1H4MEN1ALOX5AP
SCHEMBL2999279 0.76 PARP10 (0.57) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3000832 0.75 ALOX5AP (0.56) NR1H4SMN1; SMN2KDM4EALOX5AP
SCHEMBL3000149 0.75 ALOX5AP (0.56) RAB9ANPC1SMN1; SMN2KDM4EALOX5AP

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 MAPT 4788/4885RAB9A 4316/4885NR1H4 925/4885

“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.