SCHEMBL12880511

SCHEMBL12880511

Cc1ccc2oc(COC3CCCCO3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ F12 P00748 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAOB P27338 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL12709547 0.84 P2RX3 (0.37) P2RX3KDM4CNPC1RAB9AL3MBTL1
SCHEMBL14065905 0.74 ICAM1 (0.42) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL12733033 0.74 RAB9A (0.46) P2RX3F12NPC1RAB9AKDM4E
SCHEMBL9447363 0.74 KDM4C (0.41) KDM4CNPC1RAB9AL3MBTL1KDM4E
SCHEMBL14027736 0.73 KDM4C (0.38) KDM4CNPC1RAB9AL3MBTL1KDM4E
SCHEMBL92936 0.73 L3MBTL1 (0.40) P2RX3KDM4CNPC1RAB9AL3MBTL1
SCHEMBL23241837 0.72 MAOB (0.45) ALDH1A1MAOBLMNAADORA3
SCHEMBL16425429 0.70 SRC (0.42) KDM4CNPC1RAB9AL3MBTL1KDM4E
SCHEMBL31120281 0.69 TACR1 (0.42) NPSR1
SCHEMBL14952710 0.68 ICAM1 (0.38) KDM4CNPC1RAB9AMEN1KMT2A

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-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 — — US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — 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-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 P2RX3 1370/4885CHRM2 2836/4885CHRM4 3421/4885

“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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