SCHEMBL12786987

SCHEMBL12786987

CCCC(C(=O)OCC(CO)CO)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RECQL P46063 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CA2 P00918 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ CHRM1 P11229 1/20 0.30
▸ AKR1A1 P14550 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL12729856 0.89 TSHR (0.44) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL12798898 0.86 RECQL (0.37) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL12267751 0.85 PRKCA (0.31) PRKCA
SCHEMBL12729838 0.81 ALDH1A1 (0.42) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL18254442 0.81 TSHR (0.36) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL12267781 0.81 PRKCA (0.31) PRKCA
SCHEMBL12730613 0.80 — —
SCHEMBL12267730 0.79 MME (0.33) TSHRPRKCA
SCHEMBL8738949 0.78 ALDH1A1 (0.40) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL12267799 0.76 PRKCA (0.33) PRKCA

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-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 — — US disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 — — 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 (2 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-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES ACACA, ACAT2, ACACB TSHR 3248/4885CYP3A4 2616/4885TDP1 3042/4885
US-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES ACOX3, ACOX1, PAOX TSHR 1559/4885CYP3A4 957/4885TDP1 4700/4885

“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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