SCHEMBL12871329

SCHEMBL12871329

COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.94
MAOB P27338 3/20 0.83
MAPT P10636 5/20 0.80
LMNA P02545 2/20 0.80
RAB9A P51151 2/20 0.80
NPC1 O15118 1/20 0.80
HTT P42858 1/20 0.80
CYP3A4 P08684 3/20 0.78
CYP1A2 P05177 2/20 0.78
MEN1 O00255 2/20 0.78
ALDH1A1 P00352 2/20 0.78
KMT2A Q03164 2/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
BCHE P06276 4/20 0.76
ACHE P22303 1/20 0.76
NFKB1 P19838 1/20 0.75
NFKB2 Q00653 1/20 0.75
RELA Q04206 1/20 0.75

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
SCHEMBL1180393 1.00 ABCG2 (0.94) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL9341818 0.91 ABCG2 (0.89) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL15631514 0.91 ABCG2 (0.89) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL8987069 0.91 MAOB (1.00) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL8987072 0.91 MAOB (1.00) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL28562761 0.90 ABCG2 (0.86) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL31298986 0.89 MAOB (0.86) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL21002197 0.89 MAOB (0.86) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL1321090 0.89 ABCG2 (0.84) ABCG2MAOBMAPTLMNARAB9A
SCHEMBL1321091 0.89 ABCG2 (0.84) ABCG2MAOBMAPTLMNARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 ABCG2 4425/4885MAOB 434/4885MAPT 2231/4885

“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.