SCHEMBL15064475

SCHEMBL15064475

CC1(C)OB(c2ccc(Oc3nc4ccccc4[nH]3)cc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
LPL P06858 5/20 0.44
LIPG Q9Y5X9 5/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SNCA P37840 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
DGAT1 O75907 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL2953751 0.81 HIF1A (0.40) LTA4HLPLLIPGCA1CA2
SCHEMBL481643 0.77 NPC1 (0.55) LPLLIPGNPC1RAB9ASMN1; SMN2
SCHEMBL2967450 0.76 LPL (0.36) LPLLIPGSNCAALDH1A1AURKA
SCHEMBL6359968 0.75 LTA4H (0.56) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL29795482 0.75 LTA4H (0.56) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL3446842 0.74 ALDH1A1 (0.46) LPLLIPGNPC1RAB9ASMN1; SMN2
SCHEMBL5899727 0.74 LPL (0.65) LTA4HLPLLIPGCA1CA2
SCHEMBL5243207 0.73 CA1 (0.61) LPLLIPGCA1CA2CA9
SCHEMBL14547183 0.73 LTA4H (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL569767 0.73 RAB9A (0.57) LTA4HGRIN1GRIN2BNPC1RAB9A

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
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A LTA4H 2742/4885LPL 896/4885LIPG 2944/4885

“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.