SCHEMBL7107070

SCHEMBL7107070

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
HSD17B10 Q99714 3/20 0.69
ALDH1A1 P00352 3/20 0.69
TP53 P04637 2/20 0.69
HPGD P15428 2/20 0.69
TSHR P16473 2/20 0.69
ADORA3 P0DMS8 6/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
CYP2C9 P11712 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 2/20 0.47

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
SCHEMBL9831538 0.95 LMNA (0.71) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL7148358 0.94 ALDH1A1 (0.58) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL7152871 0.94 ALDH1A1 (0.78) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL11256668 0.92 ALDH1A1 (0.57) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL1663817 0.89 LMNA (0.87) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL17367955 0.87 ALDH1A1 (0.68) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL29173860 0.84 ALDH1A1 (0.71) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL11292115 0.82 TSHR (0.74) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL9139821 0.82 ALDH1A1 (1.00) LMNAHSD17B10ALDH1A1TP53HPGD
SCHEMBL1007130 0.79 ALDH1A1 (0.73) LMNAHSD17B10ALDH1A1TP53HPGD

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 LMNA 3171/4885HSD17B10 2167/4885ALDH1A1 29/4885

“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.