SCHEMBL2290933

SCHEMBL2290933

Cc1cccc(C)c1OCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.45
FFAR4 Q5NUL3 2/20 0.45
PARP10 Q53GL7 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN4A P35499 5/20 0.42
SCN8A Q9UQD0 3/20 0.42
LMNA P02545 2/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2292139 0.86 THRA (0.48) IDO1CA12CA9THRATHRB
SCHEMBL13855808 0.82 SCN8A (0.49) IDO1THRATHRBALDH1A1MAPT
SCHEMBL30342568 0.81 ALDH1A1 (0.57) IDO1CA12CA9ALDH1A1FFAR4
SCHEMBL2292785 0.81 ALDH1A1 (0.57) IDO1CA12CA9ALDH1A1FFAR4
SCHEMBL2293748 0.81 IDO1 (0.50) IDO1CA12CA9THRATHRB
SCHEMBL4109060 0.79 SCN8A (0.44) ALDH1A1SCN4ASCN8ALMNASCN1A
SCHEMBL2292132 0.79 IDO1 (0.47) IDO1CA12CA9THRATHRB
SCHEMBL2558583 0.78 LIPG (0.44) THRATHRBALDH1A1SCN4ASCN8A
SCHEMBL8617350 0.78 SCN4A (0.42) THRATHRBALDH1A1SCN4ASCN8A
SCHEMBL2290594 0.77 IDO1 (0.46) IDO1CA12CA9THRATHRB

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 IDO1 778/4885CA12 1612/4885CA9 1498/4885

“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.