SCHEMBL3906704

SCHEMBL3906704

COCOc1cccc(C(C)(OC)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.41
FFAR1 O14842 4/20 0.40
NR4A2 P43354 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SOD1 P00441 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1B Q00975 2/20 0.36
GPR132 Q9UNW8 1/20 0.35

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
SCHEMBL5417589 0.85 PKM (0.45) PKMLMNAFFAR1NR4A2NR4A1
SCHEMBL30628214 0.81 MRGPRX4 (0.45) PKMLMNAFFAR1NR4A2MRGPRX4
SCHEMBL17420544 0.81 MRGPRX4 (0.45) PKMLMNAFFAR1NR4A2MRGPRX4
SCHEMBL3197958 0.78 SOD1 (0.51) LMNAFFAR1NR4A2NR4A1NR4A3
SCHEMBL27606653 0.75 CYP3A4 (0.43) LMNAALDH1A1PPARG
SCHEMBL5383257 0.75 CYP3A4 (0.43) LMNAALDH1A1PPARG
SCHEMBL4886672 0.75 KCNN4 (0.44) LMNAFFAR1KDM4EALDH1A1KMT2A
SCHEMBL9458177 0.75 SOD1 (0.37) PKMLMNAFFAR1KDM4ESOD1
SCHEMBL9458246 0.75 SOD1 (0.37) PKMLMNAFFAR1NR4A2NR4A1
SCHEMBL20670007 0.74 KMT2A (0.41) LMNAKDM4EALDH1A1PPARGGAA

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 2 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US 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 PKM 1244/4885LMNA 3800/4885FFAR1 145/4885

“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.