SCHEMBL20996812

SCHEMBL20996812

CCCCCCC(CCCCCC(O)C(N)=O)OC(=O)C1CC=CN1C(=O)c1c(O)cccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.33
▸ SLC37A4 O43826 1/20 0.32
▸ FKBP1A P62942 1/20 0.32
▸ PNLIP P16233 2/20 0.32
▸ HTR1A P08908 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C8 P10632 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2A6 P11509 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2B6 P20813 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31

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
SCHEMBL19505784 1.00 PPARA (0.33) PPARASLC37A4FKBP1APNLIPHTR1A
SCHEMBL20996811 1.00 PPARA (0.33) PPARASLC37A4FKBP1APNLIPHTR1A
SCHEMBL19505799 0.93 MAPT (0.34) PPARASLC37A4PNLIPMEN1ALDH1A1
SCHEMBL21042221 0.89 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL20996806 0.88 FKBP1A (0.34) FKBP1APNLIPCYP3A4CYP2C9CYP2C19
SCHEMBL19505766 0.88 FKBP1A (0.34) FKBP1APNLIPCYP3A4CYP2C9CYP2C19
SCHEMBL19505807 0.86 — —
SCHEMBL19505778 0.86 NAAA (0.33) SLC37A4FKBP1APNLIPCYP3A4MEN1
SCHEMBL19505781 0.86 NAAA (0.33) SLC37A4FKBP1APNLIPCYP3A4MEN1
SCHEMBL19505770 0.84 FKBP1A (0.36) FKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — 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-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 PPARA 3995/4885SLC37A4 1532/4885FKBP1A 2077/4885

“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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