SCHEMBL19639401

SCHEMBL19639401

O=C(O)c1ccc(-c2nnc(-c3ccc(OCC4OC=CO4)c(C45CC6CC(CC(C6)C4)C5)c3)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.50
RARB P10826 9/20 0.50
RARG P13631 9/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
HSPD1 P10809 1/20 0.47
GOT1 P17174 1/20 0.47
GLRA1 P23415 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IKBKB O14920 4/20 0.46
HDAC11 Q96DB2 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL19639399 0.92 RARA (0.51) RARARARBRARGKMT2AMEN1
SCHEMBL19639400 0.89 RARA (0.49) RARARARBRARGKMT2AMEN1
SCHEMBL19639443 0.87 RARA (0.53) RARARARBRARGKMT2AMEN1
SCHEMBL19639461 0.85 RARA (0.49) RARARARBRARGKMT2AMEN1
SCHEMBL19639385 0.85 IKBKB (0.51) RARARARBRARGKMT2AMEN1
SCHEMBL19639368 0.84 NR1H4 (0.58) RARARARBRARGKMT2AMEN1
SCHEMBL17847409 0.83 RARA (0.67) RARARARBRARGKMT2AMEN1
SCHEMBL19639453 0.83 RARA (0.54) RARARARBRARGKMT2AMEN1
SCHEMBL17847382 0.81 IKBKB (0.70) RARARARBRARGKMT2AMEN1
SCHEMBL17847395 0.79 RARA (0.64) RARARARBRARGKMT2AMEN1

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-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-05-12 US disclosed
US-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 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 (2 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-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885

“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.