SCHEMBL3794601

SCHEMBL3794601

CCCCOc1ccc(Cl)cc1OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.48
PTGES O14684 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.46
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL13938554 0.91 PTGES (0.56) L3MBTL1ALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL3781671 0.90 MAPT (0.54) L3MBTL1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL17546739 0.86 ALDH1A1 (0.57) L3MBTL1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL5477791 0.86 ALDH1A1 (0.68) L3MBTL1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL8227263 0.86 ALDH1A1 (0.43) L3MBTL1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL8347835 0.85 KDM4E (0.59) L3MBTL1ALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL24305898 0.84 SMPD1 (0.56) PTGESMEN1KMT2ARAB9AGAA
SCHEMBL8225541 0.84 ALDH1A1 (0.44) L3MBTL1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL8223058 0.84 ALDH1A1 (0.44) L3MBTL1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL3785269 0.83 CYP1A2 (0.58) L3MBTL1ALDH1A1TDP1TSHRSMN1; SMN2

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 L3MBTL1 3838/4885ALDH1A1 4339/4885TDP1 4196/4885

“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.