SCHEMBL3010073

SCHEMBL3010073

COc1cc(/C=C/C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 1.00
HSD17B2 P37059 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
MMP1 P03956 6/20 0.60
MMP2 P08253 6/20 0.60
MMP9 P14780 6/20 0.60
EGFR P00533 2/20 0.60
TOP2A P11388 1/20 0.57
TOP2B Q02880 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
STAT1 P42224 1/20 0.54
PARP1 P09874 1/20 0.53

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
SCHEMBL3010078 1.00 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL3002790 0.84 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL3002795 0.84 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL3009198 0.83 HSD17B1 (0.74) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL3009200 0.83 HSD17B1 (0.74) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL3015879 0.81 TOP2A (0.76) HSD17B1MMP1MMP2MMP9EGFR
SCHEMBL3015874 0.81 TOP2A (0.76) HSD17B1MMP1MMP2MMP9EGFR
4-Methoxy-Cinnamanilide SCHEMBL14375152 0.79 MMP1 (0.89) CYP3A4CYP2C19CYP2D6MMP1MMP2
SCHEMBL3017396 0.79 HSD17B1 (1.00) HSD17B1HSD17B2SMN1; SMN2MEN1NPC1
SCHEMBL3015305 0.77 HSD17B1 (0.66) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 HSD17B1 1/4885HSD17B2 3/4885CYP3A4 370/4885

“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.