SCHEMBL2287236

SCHEMBL2287236

CCc1cc(C)cc(COc2c(C)cccc2C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NR3C1 P04150 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SCN4A P35499 6/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 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
SCHEMBL2291322 0.87 THRA (0.41) THRATHRBNR3C1ALDH1A1LMNA
SCHEMBL2293742 0.79 NR3C1 (0.39) NR3C1ALDH1A1LMNAPOLBMAPT
SCHEMBL469841 0.75 GABRA1 (0.52) GABRA1GABRB2ALDH1A1CYP1A2CYP3A4
SCHEMBL2291408 0.74 SCN8A (0.40) THRATHRBALDH1A1LMNAPOLB
SCHEMBL2289109 0.74 NR3C1 (0.43) THRATHRBNR3C1ALDH1A1LMNA
SCHEMBL2292619 0.73 PTPN1 (0.44) THRATHRBALDH1A1LMNAPOLB
Formaldehyde SCHEMBL27798964 0.72 RAPGEF4 (0.39) THRATHRBNR3C1ALDH1A1LMNA
SCHEMBL2287342 0.72 SCN4A (0.37) THRATHRBALDH1A1LMNAPOLB
SCHEMBL2289720 0.72 THRA (0.35) THRATHRBNR3C1ALDH1A1LMNA
SCHEMBL2290933 0.71 IDO1 (0.50) THRATHRBALDH1A1LMNAMAPT

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 6 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
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN 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
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN 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 GABRA1 2003/4885GABRB2 1555/4885THRA 3834/4885

“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.