SCHEMBL3781052

SCHEMBL3781052

CCCCOc1ccc(B(O)O)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.45
LTA4H P09960 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR5A1 Q13285 1/20 0.43
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5047709 0.93 MAPT (0.53) TSHRMAPTLTA4HRAB9AGAA
SCHEMBL3781210 0.86 RAB9A (0.46) TSHRMAPTLTA4HCYP1A2CYP2C9
SCHEMBL3785690 0.86 MEN1 (0.51) TSHRMAPTLTA4HNPC1MEN1
SCHEMBL15945533 0.81 L3MBTL1 (0.46) TSHRMAPTLTA4HNR5A1RAB9A
SCHEMBL3790716 0.81 LTA4H (0.44) TSHRMAPTLTA4HCYP1A2CYP2C9
SCHEMBL29650460 0.81 LTA4H (0.44) TSHRMAPTLTA4HCYP1A2CYP2C9
SCHEMBL29954557 0.81 THRA (0.45) TSHRMAPTLTA4HNR5A1RAB9A
SCHEMBL539019 0.81 THRA (0.45) TSHRMAPTLTA4HNR5A1RAB9A
SCHEMBL11655575 0.80 TSHR (0.53) TSHRMAPTLTA4HCYP1A2CYP2C9
SCHEMBL30646245 0.80 TSHR (0.53) TSHRMAPTLTA4HCYP1A2CYP2C9

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 1688/4885MAPT 3312/4885LTA4H 2263/4885

“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.