SCHEMBL5676824

SCHEMBL5676824

CCCCCCCCNc1ccc(C)c2cc(O)c(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.43
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ GPR84 Q9NQS5 3/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ ADRA1D P25100 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ PLK1 P53350 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL5678993 0.82 TYR (0.42) IDO1CNR1CNR2NAAATRPV1
SCHEMBL5677780 0.82 TYR (0.45) IDO1CNR1CNR2NAAATRPV1
SCHEMBL5678097 0.77 CNR1 (0.38) IDO1CNR1CNR2NAAATRPV1
SCHEMBL2398365 0.76 CYP3A4 (0.64) NAAAALDH1A1GPR84MAPT
SCHEMBL9464309 0.75 IDO1 (0.56) IDO1CNR1CNR2NAAAALDH1A1
SCHEMBL29045180 0.74 TYR (0.47) IDO1CNR1CNR2NAAATRPV1
SCHEMBL8996566 0.74 MAPT (0.49) NAAAALDH1A1HCAR3GPR84PLK1
SCHEMBL15934216 0.74 HCAR3 (0.40) IDO1CNR1CNR2NAAAALDH1A1
SCHEMBL24179664 0.74 MAPT (0.48) IDO1CNR1CNR2ALDH1A1HTR1A
SCHEMBL27542122 0.74 HCAR3 (0.41) CNR1CNR2HCAR3PLK1EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 — — US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 — — EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 — — WO 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR IDO1 190/4885CNR1 3890/4885CNR2 4148/4885

“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.

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