SCHEMBL2295218

SCHEMBL2295218

Cc1cccc(C)c1OCc1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
FFAR4 Q5NUL3 2/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PTGER1 P34995 1/20 0.38

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
Benzene SCHEMBL2292612 0.86 PTPN1 (0.49) THRATHRBFFAR4KMT2AMAPT
SCHEMBL2286474 0.85 PTPN1 (0.50) THRATHRBFFAR4KMT2AMAPT
SCHEMBL2291481 0.84 KMT2A (0.46) THRATHRBKMT2AMAPTMEN1
SCHEMBL2290423 0.83 KMT2A (0.39) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL2292602 0.83 SMN1; SMN2 (0.58) THRATHRBFFAR4KMT2ASMN1; SMN2
SCHEMBL2292899 0.77 KMT2A (0.47) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL2292756 0.77 MAPT (0.44) THRATHRBKMT2AMAPTMEN1
SCHEMBL2294508 0.76 THRA (0.39) THRATHRBFFAR4KMT2AMAPT
SCHEMBL2291283 0.74 THRA (0.40) THRATHRBKMT2AMAPTMEN1
SCHEMBL3149244 0.74 KMT2A (0.46) THRATHRBKMT2AMAPTMEN1

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 THRA 3834/4885THRB 4314/4885FFAR4 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.