SCHEMBL2290602

SCHEMBL2290602

CCCCc1ccccc1OCc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ABCB1 P08183 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL2289101 0.90 ALDH1A1 (0.54) ALDH1A1ABCB1NPC1MAPTHTT
SCHEMBL2292592 0.86 FFAR4 (0.53) ALDH1A1ABCB1NPC1MAPTHTT
SCHEMBL2294129 0.86 FFAR4 (0.50) ALDH1A1ABCB1NPC1MAPTHTT
SCHEMBL2295387 0.84 IDO1 (0.44) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL2288392 0.83 ALDH1A1 (0.61) ALDH1A1ABCB1NPC1MAPTHTT
SCHEMBL1835461 0.81 MPO (0.48) ABCB1IDO1HTR1ADRD2ADRA2A
SCHEMBL18171756 0.80 ALDH1A1 (0.66) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL4450889 0.80 TAAR1 (0.56) IDO1
SCHEMBL6681802 0.79 L3MBTL1 (0.56) ALDH1A1MAPTTHRATHRB
SCHEMBL919038 0.79 CYP1A2 (0.58) ALDH1A1MAPTTHRATHRB

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 83/4885ABCB1 2984/4885NPC1 3684/4885

“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.