SCHEMBL3787529

SCHEMBL3787529

CC(C)(C)Oc1ccc(Cl)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP3A4 P08684 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 4/20 0.48
ALOX15 P16050 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL3780677 0.83 CYP3A4 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL7082410 0.82 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL12001793 0.81 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL3789232 0.80 TRPV4 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL359801 0.79 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL18579473 0.79 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13876906 0.78 SLC6A2 (0.48) MAPTHPGDKMT2ACYP3A4L3MBTL1
SCHEMBL29565516 0.78 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL92069 0.78 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL5863619 0.78 MAPT (0.73) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2

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 ALDH1A1 4339/4885MAPT 3312/4885SMN1; SMN2 4524/4885

“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.