SCHEMBL3214261

SCHEMBL3214261

CCc1cc(CC)c(N(C)C)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
HSPA5 P11021 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.32
PSMB5 P28074 1/20 0.32
BACE1 P56817 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
HPGD P15428 1/20 0.31
SIGMAR1 Q99720 3/20 0.31
TP53 P04637 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL25587635 0.88 ALDH1A1 (0.36) HSPA5MEN1GAAKMT2APOLB
SCHEMBL27908301 0.81 HSPA5 (0.37) PTGS2HSPA5MEN1GAAKMT2A
SCHEMBL16572135 0.81 MEN1 (0.31) MEN1GAAKMT2APOLBPSMB5
SCHEMBL27908278 0.80 KMT2A (0.36) MEN1GAAKMT2APOLBPSMB5
SCHEMBL636402 0.79 MEN1 (0.30) MEN1GAAKMT2APOLB
SCHEMBL637171 0.78 GABRA1 (0.36) MEN1GAAKMT2APOLBPSMB5
SCHEMBL31470101 0.78 HSPA5 (0.34) PTGS2HSPA5MEN1GAAKMT2A
SCHEMBL9812178 0.78 PTGS2 (0.48) PTGS2TP53
SCHEMBL19496402 0.77 MEN1 (0.41) PTGS2MEN1GAAKMT2APOLB
SCHEMBL636020 0.76 MEN1 (0.31) MEN1GAAKMT2APOLBPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222457-B2 Coordination compounds of the boron group CHEMETALL GMBH (DE) 2012-07-17 US disclosed
US-20100029875-A1 COORDINATION COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2010-02-04 US disclosed
EP-2097424-A1 COORDINATION COMPOUNDS OF THE BORON GROUP Chemetall GmbH (DE) 2009-09-09 EP disclosed
US-20090062497-A1 Borate Salts, Method for the Production Thereof and Use Thereof CHEMETALL GMBH (DE) 2009-03-05 US disclosed
EP-1934235-A1 BORATE SALTS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF Chemetall GmbH (DE) 2008-06-25 EP disclosed
WO-2008059065-A1 COORDINATION COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2008-05-22 WO disclosed
WO-2007042500-A1 BORATE SALTS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF CHEMETALL GMBH (DE) 2007-04-19 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 (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-20090062497-A1 Borate Salts, Method for the Production Thereof and Use Thereof SLC6A12, TST, MPST PTGS2 2750/4885HSPA5 405/4885MEN1 962/4885
US-20100029875-A1 COORDINATION COMPOUNDS OF THE BORON GROUP BICRA, SOD1, NBAS PTGS2 4439/4885HSPA5 3678/4885MEN1 372/4885

“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.