SCHEMBL2294503

SCHEMBL2294503

CC(C)(C)c1ccc(OCc2ccccc2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
APP P05067 1/20 0.49
POLB P06746 3/20 0.46
IDO1 P14902 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR4A2 P43354 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AR P10275 1/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRD1 P41143 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 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
SCHEMBL2294476 0.83 SOD1 (0.55) PARP10FFAR1FFAR4POLBIDO1
SCHEMBL13761554 0.81 MAOB (0.58) FFAR1APPPOLBTP53LMNA
SCHEMBL2291386 0.81 PARP10 (0.59) PARP10FFAR1FFAR4IDO1LMNA
SCHEMBL23266156 0.80 MAOB (0.59) PARP10APPPOLBIDO1TP53
SCHEMBL13761557 0.80 MAOB (0.59) APPPOLBIDO1TP53LMNA
SCHEMBL13761546 0.80 APP (0.49) APPPOLBTP53LMNARAB9A
SCHEMBL1259945 0.80 PARP10 (0.62) PARP10FFAR1FFAR4APPIDO1
SCHEMBL20008392 0.80 ALDH1A1 (0.52) PARP10FFAR4IDO1LMNARAB9A
SCHEMBL13439791 0.79 IDO1 (0.50) PARP10APPPOLBIDO1TP53
SCHEMBL2293600 0.78 FFAR4 (0.60) PARP10FFAR1FFAR4IDO1LMNA

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 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.