SCHEMBL2288674

SCHEMBL2288674

CCCCc1cccc(CCCC)c1OCc1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.42
PTGER3 P43115 3/20 0.42
PTGER2 P43116 3/20 0.42
PTGER1 P34995 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 4/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35

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
SCHEMBL2287854 0.91 ALDH1A1 (0.40) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL2289815 0.89 PTGER4 (0.38) PTGER4PTGER3PTGER2ALDH1A1HPGD
SCHEMBL1539550 0.86 ALDH1A1 (0.43) PTGER4PTGER3PTGER2ALDH1A1HPGD
SCHEMBL2288770 0.85 CDK4 (0.46) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL266417 0.82 LIPG (0.47) ALDH1A1HPGDHTTSMN1; SMN2LIPG
SCHEMBL27775346 0.82 GAA (0.41) PTGER4PTGER3PTGER2ALDH1A1HPGD
SCHEMBL31734211 0.81 LIPG (0.46) ALDH1A1HPGDHTTSMN1; SMN2LIPG
SCHEMBL5223765 0.80 CA1 (0.51) PTGER4PTGER3PTGER2ALDH1A1LIPG
SCHEMBL2291294 0.80 THRB (0.36) PTGER4PTGER3PTGER2ALDH1A1HPGD
SCHEMBL2291317 0.80 BCHE (0.43) BCHE

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 PTGER4 1022/4885PTGER3 2186/4885PTGER2 1764/4885

“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.