SCHEMBL3911099

SCHEMBL3911099

COC(=O)CN(C)Cc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 11/20 0.51
HSD17B1 P14061 10/20 0.51
SPR P35270 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3082278 0.82 HSD17B2 (0.48) HSD17B2HSD17B1SPR
SCHEMBL5761072 0.82 KDM4E (0.56) ALDH1A1ACHEMEN1KMT2AKDM4E
SCHEMBL27546572 0.80 PYCR1 (0.60) ALDH1A1ACHEMEN1KMT2ASMN1; SMN2
SCHEMBL9416589 0.80 ENPP2 (0.54) HSD17B2HSD17B1ALDH1A1
SCHEMBL30655576 0.78 SPR (0.57) SPRALDH1A1KDM4E
SCHEMBL1124591 0.78 SPR (0.57) SPRALDH1A1KDM4E
SCHEMBL18714775 0.77 ACHE (0.59) HSD17B2ALDH1A1ACHEMEN1KMT2A
SCHEMBL18586000 0.77 HDAC1 (0.45) HSD17B2HSD17B1SPR
SCHEMBL30435086 0.77 HSP90AB1 (0.67) SPRALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL979023 0.77 HSP90AB1 (0.67) SPRALDH1A1KMT2AKDM4ESMN1; SMN2

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
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 HSD17B2 189/4885HSD17B1 177/4885SPR 1204/4885

“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.