SCHEMBL3789871

SCHEMBL3789871

Nc1cccc(Cl)c1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NR4A2 P43354 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR5A P47898 4/20 0.38
HTR2C P28335 4/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
HTR1D P28221 2/20 0.38
HTR2A P28223 2/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL3793155 0.96 TSHR (0.43) TSHRALDH1A1NR4A2SMN1; SMN2KDM4E
SCHEMBL3791245 0.94 TSHR (0.41) TSHRALDH1A1NR4A2SMN1; SMN2KDM4E
SCHEMBL3784738 0.92 TSHR (0.46) TSHRALDH1A1NR4A2SMN1; SMN2KDM4E
SCHEMBL30069349 0.92 TSHR (0.46) TSHRALDH1A1NR4A2SMN1; SMN2KDM4E
Nitrogen SCHEMBL11050859 0.91 ALDH1A1 (0.40) TSHRALDH1A1NR4A2SMN1; SMN2KDM4E
SCHEMBL12290554 0.85 SMN1; SMN2 (0.48) TSHRALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10693537 0.79 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1GAA
SCHEMBL3789259 0.78 SMN1; SMN2 (0.42) SMN1; SMN2OPRL1GLAHTTNPSR1
SCHEMBL12290553 0.76 TSHR (0.45) TSHRALDH1A1SMN1; SMN2ACHEOPRL1
SCHEMBL10387633 0.75 OPRL1 (0.49) TSHRALDH1A1SMN1; SMN2MEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TSHR 1688/4885ALDH1A1 4339/4885NR4A2 888/4885

“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.