SCHEMBL3780677

SCHEMBL3780677

CC(C)(C)Oc1cc(Cl)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 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
SCHEMBL3787529 0.83 ALDH1A1 (0.53) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL29421839 0.82 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL316186 0.82 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL9621586 0.81 ALDH1A1 (0.59) CYP3A4TSHRALDH1A1ALOX15TDP1
SCHEMBL11525687 0.81 MAPT (0.39) CYP3A4TSHRALDH1A1ALOX15TDP1
SCHEMBL3789232 0.80 TRPV4 (0.42) CYP3A4TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL171279 0.78 ALDH1A1 (0.61) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL29811646 0.78 ALDH1A1 (0.61) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL365098 0.77 ALDH1A1 (0.61) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL26916244 0.76 CYP3A4 (0.41) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15

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 CYP3A4 177/4885TSHR 1688/4885ALDH1A1 4339/4885

“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.