SCHEMBL3781210

SCHEMBL3781210

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
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
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA12 O43570 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
SCHEMBL3792474 0.93 MAPT (0.49) RAB9AGAATSHRLTA4HNPC1
SCHEMBL3781052 0.86 TSHR (0.46) RAB9AGAATSHRLTA4HCYP1A2
SCHEMBL3780954 0.86 MEN1 (0.56) TSHRLTA4HNPC1MAPTLMNA
SCHEMBL3790131 0.81 LTA4H (0.44) RAB9AGAALTA4HCYP1A2CYP2C9
SCHEMBL11655575 0.80 TSHR (0.53) RAB9AGAATSHRLTA4HCYP1A2
SCHEMBL30646245 0.80 TSHR (0.53) RAB9AGAATSHRLTA4HCYP1A2
SCHEMBL29954821 0.79 KDM4E (0.47) RAB9AGAATSHRLTA4HNR5A1
SCHEMBL5047709 0.79 MAPT (0.53) RAB9AGAATSHRLTA4HNPC1
SCHEMBL15728767 0.79 LTA4H (0.43) RAB9AGAATSHRLTA4HNR5A1
SCHEMBL12537785 0.79 MCL1 (0.46) RAB9AGAALTA4HCYP1A2CYP2C9

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 RAB9A 1357/4885GAA 1755/4885TSHR 1688/4885

“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.