SCHEMBL4907430

SCHEMBL4907430

C=CCOC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.48
CYP3A4 P08684 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.42
F12 P00748 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 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
SCHEMBL30107706 0.92 CYP3A4 (0.55) SNCACYP3A4MEN1KMT2ANPC1
SCHEMBL429872 0.92 CYP3A4 (0.55) SNCACYP3A4MEN1KMT2ANPC1
SCHEMBL17386426 0.87 CYP3A4 (0.53) SNCACYP3A4MEN1KMT2ANPC1
SCHEMBL4430256 0.86 CYP3A4 (0.57) SNCACYP3A4MEN1KMT2ANPC1
SCHEMBL5135053 0.86 SNCA (0.49) SNCACYP3A4MEN1KMT2ANPC1
SCHEMBL9278105 0.84 SNCA (0.48) SNCACYP3A4MEN1KMT2ANPC1
SCHEMBL11046516 0.84 PTPN11 (0.54) SNCACYP3A4NPC1ALDH1A1HSD17B10
SCHEMBL18593579 0.84 CA12 (0.53) SNCACYP3A4NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL9278114 0.84 SNCA (0.48) SNCACYP3A4MEN1KMT2ANPC1
SCHEMBL31182 0.83 SNCA (0.59) SNCACYP3A4MEN1KMT2ANPC1

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-7345189-B2 Process for the preparation of adapalene DIPHARMA S.P.A. (IT) 2008-03-18 US disclosed
EP-1707555-B1 A process for the preparation of adapalene LUNDBECK PHARMACEUTICALS ITALY (IT) 2007-11-14 EP disclosed
US-20060229465-A1 Process for the preparation of adapalene LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2006-10-12 US disclosed
EP-1707555-A1 A process for the preparation of adapalene Dipharma S.p.A. (IT) 2006-10-04 EP disclosed
US-5072021-A Liquid crystals MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-10 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-20060229465-A1 Process for the preparation of adapalene NR3C2, NR0B2, NR0B1 SNCA 3874/4885CYP3A4 4009/4885MEN1 3306/4885

“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.