SCHEMBL5784591

SCHEMBL5784591

CCC1(CC)Cc2cc(C=O)cc(OC)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.38
TSHR P16473 1/20 0.38
FDPS P14324 1/20 0.37
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ALDH1A3 P47895 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
AOX1 Q06278 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5787117 0.81 ALDH1A1 (0.41) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL5782591 0.79 ALDH1A1 (0.39) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL5786517 0.72 KDM4E (0.43) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL5722696 0.69 ALDH1A1 (0.38) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL1619916 0.69 ALDH1A1 (0.47) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL9983175 0.69 ERN1 (0.33)
SCHEMBL9679204 0.68 ALDH1A1 (0.41) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL7846691 0.68 NPC1 (0.46) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL5784331 0.68 KMT2A (0.39) ALDH1A1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL1620646 0.67 ALDH1A1 (0.41) ALDH1A1TSHRFDPSTRIM24HPGD

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 572/4885TSHR 2457/4885FDPS 316/4885

“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.