SCHEMBL2633141

SCHEMBL2633141

CCC(=O)c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
MAPT P10636 3/20 0.70
GSK3B P49841 1/20 0.57
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL507067 0.93 GSK3B (0.64) SMN1; SMN2L3MBTL1MAPTGSK3BKMT2A
Hydrochloric Acid SCHEMBL30478406 0.91 GSK3B (0.61) SMN1; SMN2L3MBTL1MAPTGSK3BKMT2A
SCHEMBL10389933 0.91 SMN1; SMN2 (0.83) SMN1; SMN2L3MBTL1MAPTGSK3BKMT2A
SCHEMBL16152387 0.88 MAPT (0.56) SMN1; SMN2L3MBTL1MAPTGSK3BKMT2A
SCHEMBL11135945 0.84 KMT2A (0.56) SMN1; SMN2L3MBTL1MAPTGSK3BKMT2A
SCHEMBL8051337 0.83 SMN1; SMN2 (0.70) SMN1; SMN2L3MBTL1MAPTGSK3BKMT2A
SCHEMBL1928026 0.83 MAPT (1.00) SMN1; SMN2L3MBTL1MAPTGSK3BNPC1
SCHEMBL15085369 0.83 SMN1; SMN2 (0.77) SMN1; SMN2L3MBTL1MAPTKMT2AMEN1
SCHEMBL13267783 0.83 MAPT (1.00) SMN1; SMN2L3MBTL1MAPTGSK3BNPC1
SCHEMBL28427073 0.83 MAPT (0.70) SMN1; SMN2L3MBTL1MAPTGSK3BKMT2A

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
US-9236571-B2 Polymer materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-01-12 US disclosed
US-8921555-B2 Substituted-1,3,8-triazaspiro[4.5]decane-2,4-diones MERCK SHARP & DOHME CORP. (US) 2014-12-30 US disclosed
US-8786181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-20130207095-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Fraunhofer-Gesellschaft Forderung E.V. (DE) 2013-08-15 US disclosed
US-20130187096-A1 POLYMER MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-07-25 US disclosed
US-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES MERCK SHARP & DOHME CORP. (US) 2012-04-19 US disclosed
WO-2010147776-A1 SUBSTITUTED -1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES MERCK SHARP & DOHME CORP. (US) 2010-12-23 WO disclosed
US-6194599-B1 Process for preparing biaryl compounds CATALYTICA, INC. 2001-02-27 US disclosed
US-5922898-A Process for preparing biaryl compounds CATALYTICA PHARMACEUTICALS, INC. (US) 1999-07-13 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 (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-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES HIF1AN, HIF1A, EGLN2 SMN1; SMN2 4257/4885L3MBTL1 1811/4885MAPT 4584/4885

“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.