SCHEMBL10008412

SCHEMBL10008412

CCCCCC(=O)c1ccc2c(c1)C(CCC(=O)O)(CCC(=O)O)c1cc(C(=O)CCCCC)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ S1PR5 Q9H228 2/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ STS P08842 1/20 0.39

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
SCHEMBL10298043 0.94 HSD17B3 (0.43) HSD17B3APEX1S1PR5HTR7MMP2
SCHEMBL10009406 0.87 HSD17B3 (0.39) HSD17B3APEX1S1PR5STS
SCHEMBL10010050 0.85 HSD17B3 (0.43) HSD17B3STS
SCHEMBL28228004 0.83 HSD17B3 (0.47) HSD17B3APEX1STS
SCHEMBL10008935 0.83 HSD17B3 (0.44) HSD17B3S1PR5HTR7MMP2MMP12
SCHEMBL28228075 0.83 HSD17B3 (0.47) HSD17B3APEX1STS
SCHEMBL18812919 0.82 APEX1 (0.54) APEX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18012830 0.81 HSD17B3 (0.50) HSD17B3S1PR5HTR7PTGS2STS
SCHEMBL27761329 0.79 RARB (0.47) —
SCHEMBL10298042 0.78 HSD17B3 (0.37) HSD17B3PTGS2STS

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-8854730-B2 Negatively birefringent polyesters and optical films 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-07 — — US disclosed
US-20120170118-A1 NEGATIVELY BIREFRINGENT POLYESTERS AND OPTICAL FILMS 3M INNOVATIVE PROPERTIES COMPANY 2012-07-05 — — 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-20120170118-A1 NEGATIVELY BIREFRINGENT POLYESTERS AND OPTICAL FILMS PUF60, PARG, PARN HSD17B3 3615/4885APEX1 997/4885S1PR5 2366/4885

“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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