SCHEMBL5786313

SCHEMBL5786313

CCOC(=O)C(C)(C)Cc1cc2c(c(OC)c1)OC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 3/20 0.37
LMNA P02545 2/20 0.36
STING1 Q86WV6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5782999 0.86 KMT2A (0.41) NPC1KMT2ARAB9ALMNAALDH1A1
SCHEMBL5783751 0.80 HTR2A (0.40) NPC1KMT2ARAB9ALMNAKDM4E
SCHEMBL5784797 0.78 KMT2A (0.38) NPC1KMT2ARAB9ACNR2LMNA
SCHEMBL5786290 0.75 KMT2A (0.42) NPC1KMT2ARAB9ALMNAKDM4E
SCHEMBL5784632 0.73 KMT2A (0.36) NPC1KMT2ARAB9ALMNAALDH1A1
SCHEMBL5783602 0.72 IDO1 (0.43) NPC1KMT2ARAB9ALMNA
SCHEMBL5783836 0.71 KMT2A (0.42) NPC1KMT2ARAB9ALMNAKDM4E
SCHEMBL25139713 0.71 KMT2A (0.47) NPC1KMT2ARAB9ALMNAKDM4E
SCHEMBL5785017 0.71 HTR2A (0.49) KMT2ALMNAKDM4EALDH1A1CYP1A2
SCHEMBL2321653 0.70 KMT2A (0.41) NPC1KMT2ARAB9ALMNAALDH1A1

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 5 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
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP 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 3538/4885KMT2A 1140/4885RAB9A 742/4885

“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.