SCHEMBL12729856

SCHEMBL12729856

CCCCC(C(=O)OCC(CO)CO)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ RECQL P46063 1/20 0.40
▸ CA2 P00918 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ CA1 P00915 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKCE Q02156 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ PRKCD Q05655 1/20 0.34

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
SCHEMBL12786987 0.89 TSHR (0.35) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL10357895 0.83 PRSS1 (0.47) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL12729976 0.82 CYP3A4 (0.46) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL12267751 0.82 PRKCA (0.31) PRKCA
SCHEMBL31325637 0.82 CYP3A4 (0.55) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL15443262 0.80 CA2 (0.42) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL12267781 0.78 PRKCA (0.31) PRKCA
SCHEMBL18254442 0.78 TSHR (0.36) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL12730613 0.78 — —
SCHEMBL12267730 0.77 MME (0.33) TSHRPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082210-A1 FATTY ACID FIBRATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 — — US disclosed
US-20110082202-A1 FATTY ACID ACIFRAN DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 — — US disclosed
US-20110082120-A1 SUBSTITUTED THIOACETIC ACID SALICYLATE 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
US-20110082156-A1 FATTY ACID ACIPIMOX 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 (5 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-20110082202-A1 FATTY ACID ACIFRAN DERIVATIVES AND THEIR USES FABP4, FASN, ELOVL6 TSHR 1888/4885CYP3A4 1613/4885ATM 2360/4885
US-20110082210-A1 FATTY ACID FIBRATE DERIVATIVES AND THEIR USES FABP1, PPARA, FABP4 TSHR 1281/4885CYP3A4 432/4885ATM 3415/4885
US-20110082120-A1 SUBSTITUTED THIOACETIC ACID SALICYLATE DERIVATIVES AND THEIR USES TST, SLC5A2, ACACA TSHR 752/4885CYP3A4 1407/4885ATM 805/4885
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES ACACA, ACAT2, ACACB TSHR 3248/4885CYP3A4 2616/4885ATM 2126/4885
US-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES ACOX3, ACOX1, PAOX TSHR 1559/4885CYP3A4 957/4885ATM 3066/4885

“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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