SCHEMBL5786283

SCHEMBL5786283

CCC1(CC)Cc2cccc(OC)c2O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
Bicarbonate SCHEMBL7360481 0.93 NPC1 (0.47) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL7846691 0.90 NPC1 (0.46) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL2378171 0.78 LMNA (0.60) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL12301094 0.78 L3MBTL1 (0.35) KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL7049258 0.78 NPC1 (0.40) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL29963667 0.77 DRD2 (0.38) LMNA
SCHEMBL5784672 0.75 PDE4A (0.40) NPC1RAB9AKMT2ALMNA
SCHEMBL10818853 0.75 KMT2A (0.37) NPC1RAB9AKMT2AALDH1A1
SCHEMBL5784591 0.72 ALDH1A1 (0.38) KMT2ALMNAALDH1A1KDM4EMAPT
SCHEMBL10800882 0.70 KMT2A (0.40) NPC1RAB9AKMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A NPC1 3538/4885RAB9A 742/4885KMT2A 1140/4885

“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.