SCHEMBL4747223

SCHEMBL4747223

O=C(O)N(Cc1ccccc1)C1=COCO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
TSHR P16473 2/20 0.40
TSPO P30536 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3393849 0.84 OPRM1 (0.43) HPGDALDH1A1NPC1HTTRAB9A
SCHEMBL976922 0.80 ALDH1A1 (0.39) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL761128 0.78 TSHR (0.45) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4351294 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL7258846 0.77 CA2 (0.40) HPGDALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4355633 0.77 PDK1 (0.43)
SCHEMBL4347110 0.77 EGFR (0.43) TRPM8ALDH1A1NPC1RAB9AGAA
SCHEMBL4347969 0.77 EGFR (0.43) ALDH1A1NPC1RAB9AGAALMNA
SCHEMBL2504679 0.77 AOC3 (0.41) TRPM8HPGDALDH1A1NPC1HTT
Hydrochloric Acid SCHEMBL7656186 0.76 PTPN1 (0.41) HPGDALDH1A1SMN1; SMN2HTTRAB9A

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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 US disclosed
WO-2008113851-A2 NOVEL C11 MODIFIED RETROSTEROIDS AS PROGESTERONE RECEPTOR MODULATOR COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-09-25 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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA TRPM8 3255/4885HPGD 373/4885ALDH1A1 1234/4885

“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.