SCHEMBL3155173

SCHEMBL3155173

ClCc1ccccc1Oc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.44
KDM4E B2RXH2 2/20 0.42
KCNA3 P22001 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HTR1D P28221 1/20 0.41
ESRRA P11474 1/20 0.40
SLC6A4 P31645 2/20 0.40
HRH1 P35367 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
NR2E1 Q9Y466 1/20 0.39

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
SCHEMBL3355905 0.84 SLC6A4 (0.47) ALDH1A1SLC6A4HRH1
SCHEMBL5658550 0.83 KDM4E (0.49) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL8546183 0.82 SLC6A4 (0.46) ALDH1A1SLC6A4HRH1
SCHEMBL442767 0.82 HTR1B (0.54) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL29577853 0.82 HTR1B (0.54) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL5659852 0.81 HTR1B (0.44) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL8981668 0.81 HTR1B (0.44) HTR1BKDM4EKCNA3ALDH1A1HPGD
Methane SCHEMBL10959030 0.80 HTR1B (0.52) HTR1BKDM4EKCNA3ALDH1A1HPGD
Lithium SCHEMBL6571336 0.80 HTR1B (0.52) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL7457103 0.80 HTR1B (0.52) HTR1BKDM4EKCNA3ALDH1A1HPGD

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 HTR1B 1338/4885KDM4E 2872/4885KCNA3 99/4885

“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.