SCHEMBL3149558

SCHEMBL3149558

CCOCc1ccccc1CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 7/20 0.33
CACNA1G O43497 2/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1I Q9P0X4 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 1/20 0.33
ADRA1A P35348 1/20 0.32

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
SCHEMBL648250 0.89 IDO1 (0.39) TSHRALDH1A1TDP1IDO1CACNA1G
SCHEMBL4143560 0.86 TSHR (0.42) TSHRALDH1A1IDO1
SCHEMBL8750546 0.82 L3MBTL1 (0.44) TSHRALDH1A1TP53CYP3A4TDP1
SCHEMBL4235969 0.80 TDP1 (0.42) TSHRALDH1A1CYP3A4TDP1NPSR1
SCHEMBL18892799 0.80 NPSR1 (0.37) TSHRALDH1A1IDO1MAPTNPSR1
SCHEMBL29618473 0.78 CYP4F2 (0.49) TSHRALDH1A1TP53TDP1IDO1
SCHEMBL18892755 0.78 CYP4F2 (0.49) TSHRALDH1A1TP53TDP1IDO1
SCHEMBL9862096 0.78 KDM4E (0.42) IDO1DPP4
SCHEMBL6507641 0.78 IDO1 (0.57) ALDH1A1TP53IDO1MAPTL3MBTL1
SCHEMBL19535134 0.78 IDO1 (0.57) TSHRIDO1CACNA1GCACNA1HCACNA1I

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-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
CN-101679171-B Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2012-12-12 CN disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
CN-101679171-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 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-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 TSHR 2696/4885ALDH1A1 94/4885TP53 1050/4885

“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.