SCHEMBL4285044

SCHEMBL4285044

CCOC(=O)CCc1cc(C(=O)O)ccc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CYP4F2 P78329 2/20 0.46
▸ CYP4A11 Q02928 2/20 0.46
▸ ELANE P08246 1/20 0.44
▸ LTB4R Q15722 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CFD P00746 2/20 0.40
▸ AKT1 P31749 1/20 0.40

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
SCHEMBL7262501 0.85 TSHR (0.49) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL9165101 0.83 TSHR (0.63) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL2958785 0.81 FOS (0.58) TSHRKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL4425084 0.81 CYP4F2 (0.50) KDM4EALDH1A1GAACYP4F2CYP4A11
SCHEMBL4277965 0.79 LTB4R (0.50) LTB4R
SCHEMBL2968438 0.78 TSHR (0.55) TSHRKDM4EALDH1A1RAB9ACYP4F2
SCHEMBL9345335 0.75 CYP4F2 (0.56) CYP4F2CYP4A11TNFAKT1
SCHEMBL9120028 0.74 CTNNB1 (0.49) KDM4EALDH1A1CYP4F2CYP4A11KMT2A
SCHEMBL4420122 0.74 MAPT (0.52) ALDH1A1RAB9AKMT2A
SCHEMBL9082145 0.74 HRH3 (0.44) TSHRKMT2AHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 — — US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 — — US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 — — 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 TSHR 4233/4885KDM4E 3794/4885ALDH1A1 2031/4885

“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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