SCHEMBL3789995

SCHEMBL3789995

CN(C)c1cc2cc-2c1.OBO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 6/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.32
SLC2A1 P11166 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 2/20 0.31
APP P05067 2/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TERT O14746 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM5 P08912 1/20 0.31
CHKA P35790 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Ethyne SCHEMBL5281127 0.82 TSHR (0.42) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL21578936 0.74 MEN1 (0.47) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL3785230 0.72 ALDH1A1 (0.42) TSHRALDH1A1HSD17B10MAPTHPGD
SCHEMBL1760716 0.71 TSHR (0.57) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL20391801 0.70 MEN1 (0.45) TSHRALDH1A1MAPTCYP3A4MAPK1
SCHEMBL9322498 0.69 ALDH1A1 (0.65) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL1061042 0.67 RXRA (0.41) TSHRALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL1744148 0.67 ALDH1A1 (0.53) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL3782136 0.66 MEN1 (0.39) CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL3781901 0.65

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 4339/4885ALOX15 1941/4885

“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.