SCHEMBL3154292

SCHEMBL3154292

Cc1cccc(C)c1OCc1cc(CN(C)C)ccc1CCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
NOS1 P29475 2/20 0.34
NOS2 P35228 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SCN8A Q9UQD0 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1E P28566 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
HTR5A P47898 1/20 0.34
HTR6 P50406 1/20 0.34
TNKS O95271 1/20 0.34

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
SCHEMBL3155081 0.83 SCN8A (0.35) TSHRSLC6A4SCN8AHTR2AHTR2B
SCHEMBL2293620 0.82 THRA (0.39) HTR7TSHRTAAR1NOS1NOS2
SCHEMBL3139651 0.81 SCN8A (0.34) TSHRSLC6A4SCN8AHTR1AHTR2A
SCHEMBL2289742 0.79 TSHR (0.39) HTR7TSHRNOS1NOS2SCN8A
SCHEMBL3150639 0.77 ALDH1A1 (0.41) SLC6A4SCN8AHTR1ATHRATHRB
SCHEMBL2287346 0.77 HRH3 (0.38) HTR7TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL8617350 0.76 SCN4A (0.42) TSHRSLC6A4SCN8AHTR1AHTR2A
SCHEMBL2289821 0.74 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3SCN8A
SCHEMBL3149262 0.73 ALDH1A1 (0.37) TSHRSLC6A4SCN8AHTR2AHTR2B
SCHEMBL3147078 0.73 FFAR1 (0.39) THRATHRBPOLB

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 HTR7 4167/4885TSHR 2696/4885TAAR1 1331/4885

“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.