SCHEMBL2292141

SCHEMBL2292141

Fc1ccc(OCc2ccccc2Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.59
FFAR1 O14842 2/20 0.55
FFAR4 Q5NUL3 2/20 0.55
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAOB P27338 10/20 0.47
AR P10275 1/20 0.45
APP P05067 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44

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
SCHEMBL1259945 0.84 PARP10 (0.62) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL15080038 0.84 CYP1A2 (0.49) PARP10FFAR1FFAR4IDO1NPC1
SCHEMBL8846366 0.81 PARP10 (0.59) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL2291386 0.81 PARP10 (0.59) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL12423201 0.81 MAOB (0.69) PARP10IDO1ALDH1A1MAOBNPC1
SCHEMBL2293600 0.79 FFAR4 (0.60) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL18171756 0.78 ALDH1A1 (0.66) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL10465970 0.78 FFAR1 (0.51) PARP10FFAR1FFAR4ALDH1A1MAOB
SCHEMBL2287943 0.78 ALDH1A1 (0.57) PARP10IDO1ALDH1A1NPC1RAB9A
SCHEMBL5606933 0.77 PARP10 (0.55) PARP10FFAR1FFAR4IDO1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PARP10 167/4885FFAR1 3643/4885FFAR4 3092/4885

“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.