SCHEMBL3905575

SCHEMBL3905575

COCOc1ccc(CC#N)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
FYN P06241 1/20 0.38
TSHR P16473 5/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 4/20 0.34
USP2 O75604 4/20 0.34
CYP1A2 P05177 4/20 0.34
CYP3A4 P08684 4/20 0.34
CLK4 Q9HAZ1 4/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 3/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 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
SCHEMBL15463264 0.88 APLNR (0.42) APLNRTSHRCA12CA1CA2
SCHEMBL1237860 0.85 APLNR (0.58) APLNRTSHRCA12CA1CA2
SCHEMBL8032749 0.80 CNR1 (0.47) TSHRALDH1A1HTTKDM4E
SCHEMBL1097701 0.80 MAOB (0.51) MAPTKDM4E
SCHEMBL4031868 0.78 BACE1 (0.35) FYNCA1CA2GAALMNA
SCHEMBL334710 0.78 L3MBTL1 (0.38) ALDH1A1GAAKDM4E
SCHEMBL15462234 0.76 ACHE (0.36) TSHRALDH1A1USP2CYP2C19MAPK1
SCHEMBL11835176 0.76 APLNR (0.44) APLNRTSHRCA12CA1CA2
SCHEMBL34462994 0.76 TAAR1 (0.54) CYP1A2
SCHEMBL12100424 0.76 CA2 (0.61) APLNRFYNCA12CA1CA2

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 APLNR 1306/4885FYN 1216/4885TSHR 368/4885

“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.