SCHEMBL2293075

SCHEMBL2293075

CC(C)(C)c1ccccc1OCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
NISCH Q9Y2I1 1/20 0.48
MAPT P10636 3/20 0.46
IDO1 P14902 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL2290594 0.83 IDO1 (0.46) ALDH1A1MAPTIDO1NPC1HTT
SCHEMBL2291232 0.83 ALDH1A1 (0.47) ALDH1A1MAPTIDO1NPC1HTT
SCHEMBL2289307 0.83 ALDH1A1 (0.44) ALDH1A1RXRARXRBRXRGNISCH
SCHEMBL18171756 0.82 ALDH1A1 (0.66) ALDH1A1MAPTIDO1NPC1HTT
SCHEMBL30342568 0.77 ALDH1A1 (0.57) ALDH1A1RXRARXRBRXRGNISCH
SCHEMBL2288392 0.77 ALDH1A1 (0.61) ALDH1A1NISCHMAPTIDO1NPC1
SCHEMBL2292785 0.77 ALDH1A1 (0.57) ALDH1A1RXRARXRBRXRGNISCH
SCHEMBL1539444 0.76 RXRA (0.49) ALDH1A1RXRARXRBRXRGNISCH
SCHEMBL2291817 0.76 IDO1 (0.42) ALDH1A1MAPTIDO1NPC1HTT
SCHEMBL20008392 0.76 ALDH1A1 (0.52) ALDH1A1RXRARXRBRXRGMAPT

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 ALDH1A1 83/4885RXRA 2047/4885RXRB 2268/4885

“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.