SCHEMBL3158472

SCHEMBL3158472

CN(C)Cc1ccccc1CCl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.50
SLC6A2 P23975 13/20 0.50
SLC6A3 Q01959 11/20 0.50
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HTR2A P28223 3/20 0.46
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL9668097 0.98 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL29729780 0.87 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL125255 0.87 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL29350459 0.79 TSHR (0.50) ALDH1A1TSHRLMNAKMT2A
SCHEMBL150237 0.79 TSHR (0.50) ALDH1A1TSHRLMNAKMT2A
SCHEMBL12188870 0.78 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
Alcohol SCHEMBL28875867 0.78 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL3144969 0.77 TAAR1 (0.64) HTR2A
Hydrochloric Acid SCHEMBL1428183 0.76 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL8680690 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR

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 SLC6A4 2186/4885SLC6A2 1735/4885SLC6A3 1782/4885

“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.