SCHEMBL2968438

SCHEMBL2968438

CCOC(=O)CCc1ccc(C(=O)O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ TPMT P51580 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ HTT P42858 2/20 0.49
▸ CYP4F2 P78329 1/20 0.48
▸ CYP4A11 Q02928 1/20 0.48
▸ HSD17B2 P37059 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL22867617 0.84 CYP4F2 (0.51) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL1549816 0.83 CYP4F2 (0.50) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL491098 0.83 POLB (0.54) TSHRCYP4F2CYP4A11ALDH1A1MAPK1
SCHEMBL17722574 0.82 CYP4F2 (0.54) CA12CA1CA2CA9CYP4F2
SCHEMBL12426803 0.82 GAA (0.53) TSHRHTTCYP4F2CYP4A11HSD17B2
SCHEMBL27792899 0.82 CYP4F2 (0.49) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL27881014 0.82 CYP4F2 (0.49) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL146903 0.81 CYP4F2 (0.55) CA12CA1CA2CA9CYP4F2
SCHEMBL30434824 0.81 CYP4F2 (0.55) CA12CA1CA2CA9CYP4F2
SCHEMBL2592749 0.80 CA12 (0.67) TSHRCA12CA1CA2CA4

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-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 — — EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 — — US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 — — US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 — — 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-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN TSHR 1002/4885CA12 4777/4885CA1 3608/4885

“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.

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