SCHEMBL2294671

SCHEMBL2294671

Cc1cccc(C)c1OCc1cc(OC(=O)Cc2ccccc2)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
CA2 P00918 2/20 0.40
CA5A P35218 1/20 0.39

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
Benzene SCHEMBL2294675 0.86 THRA (0.45) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL2292602 0.85 SMN1; SMN2 (0.58) SMN1; SMN2THRATHRBKMT2APOLB
SCHEMBL2292640 0.84 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AATML3MBTL1TDP1
SCHEMBL2295483 0.84 LMNA (0.45) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL2291481 0.84 KMT2A (0.46) THRATHRBKMT2AMEN1POLB
SCHEMBL2290427 0.78 THRA (0.41) SMN1; SMN2THRATHRBL3MBTL1TDP1
SCHEMBL2294114 0.76 SCN8A (0.43) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL2293768 0.75 TP53 (0.39) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL2290093 0.74 FFAR1 (0.42) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL2293253 0.74 SMN1; SMN2 (0.55) SMN1; SMN2THRATHRBKMT2AMEN1

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-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 SMN1; SMN2 3093/4885THRA 3834/4885THRB 4314/4885

“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.