SCHEMBL5784331

SCHEMBL5784331

CCC(=Cc1cc2c(c(OC)c1)OC(C)(C)C2)CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
OSBP P22059 4/20 0.34
ALDH1A1 P00352 1/20 0.33
AKT1 P31749 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5784052 0.85 KMT2A (0.41) KMT2ANPC1RAB9ALMNAOSBP
SCHEMBL5787117 0.79 ALDH1A1 (0.41) KMT2ANPC1RAB9ALMNAOSBP
SCHEMBL5786358 0.79 EGFR (0.40) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL5786354 0.79 EGFR (0.40) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL28550384 0.78 HSD17B10 (0.40) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL5782062 0.76 KMT2A (0.36) KMT2ANPC1RAB9ALMNAOSBP
SCHEMBL25139713 0.75 KMT2A (0.47) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL28496894 0.74 KMT2A (0.39) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL5784932 0.74 OSBP (0.36) KMT2ALMNAOSBPAKT1KDM4E
SCHEMBL5783529 0.74 KMT2A (0.34) KMT2ANPC1RAB9ALMNAOSBP

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 KMT2A 1140/4885NPC1 3538/4885RAB9A 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.