SCHEMBL5789086

SCHEMBL5789086

C=C(C)COc1ccc(C=O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
FDPS P14324 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
TSHR P16473 1/20 0.62
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.60
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 2/20 0.53
AOX1 Q06278 1/20 0.53
TRIM24 O15164 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TRPA1 O75762 1/20 0.52

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
SCHEMBL2561250 0.87 FDPS (0.65) ALDH1A1FDPSSMN1; SMN2TSHRPOLB
SCHEMBL15330280 0.87 FDPS (0.65) ALDH1A1FDPSSMN1; SMN2TSHRPOLB
SCHEMBL5784372 0.87 ALDH1A1 (0.70) ALDH1A1FDPSSMN1; SMN2POLBKDM4E
SCHEMBL18095848 0.86 ALDH1A1 (0.72) ALDH1A1FDPSSMN1; SMN2TSHRPOLB
SCHEMBL6536289 0.83 POLB (0.74) ALDH1A1FDPSSMN1; SMN2TSHRPOLB
SCHEMBL22085676 0.83 ALDH1A1 (0.47) ALDH1A1FDPSSMN1; SMN2TSHRPOLB
SCHEMBL15678982 0.83 ALDH1A1 (0.56) ALDH1A1FDPSSMN1; SMN2TSHRPOLB
SCHEMBL718956 0.82 SNCA (0.74) ALDH1A1FDPSSMN1; SMN2POLBKDM4E
SCHEMBL3692498 0.82 SNCA (0.74) ALDH1A1FDPSSMN1; SMN2POLBKDM4E
SCHEMBL5599547 0.82 MTNR1A (0.75) ALDH1A1FDPSSMN1; SMN2TSHRPOLB

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 ALDH1A1 572/4885FDPS 316/4885SMN1; SMN2 4678/4885

“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.