SCHEMBL7148358

SCHEMBL7148358

CCCCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.50
ADORA3 P0DMS8 1/20 0.44
PSMD14 O00487 1/20 0.44
MMP2 P08253 1/20 0.44
RAD52 P43351 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11256668 0.98 ALDH1A1 (0.57) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL7107070 0.94 LMNA (0.69) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL9831538 0.89 LMNA (0.71) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL11292115 0.88 TSHR (0.74) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL7152871 0.87 ALDH1A1 (0.78) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL5359112 0.82 GAA (0.59) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL1663817 0.82 LMNA (0.87) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL8521929 0.81 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL2576010 0.81 LMNA (0.50) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL17367955 0.80 ALDH1A1 (0.68) ALDH1A1HPGDTSHRHSD17B10LMNA

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-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-12-18 US disclosed
WO-2003099790-A1 PROCESS FOR THE PREPARATION OF 1,4-DIHYDROPYRIDINES AND NOVEL 1,4-DIHYDROPYRIDINES USEFUL AS THERAPEUTIC AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-12-04 WO 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-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents HRH4, ODC1, OGDH ALDH1A1 29/4885HPGD 543/4885TSHR 2934/4885

“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.