SCHEMBL12822006

SCHEMBL12822006

C=CCOCc1ccccc1-c1ccccc1COCC=C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PTPRC P08575 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP3A4 P08684 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TACR1 P25103 1/20 0.35
LMNA P02545 1/20 0.35
RHOA P61586 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11698533 0.89 CYP3A4 (0.41) ALDH1A1PTPRCCYP3A4KDM4ETSHR
SCHEMBL8985122 0.82 GABRA1 (0.50) ALDH1A1GABRA1GABRB2CYP2D6TACR1
SCHEMBL11011645 0.82 GABRA1 (0.41) ALDH1A1GABRA1GABRB2CYP3A4CYP2D6
SCHEMBL5880773 0.80 CYP3A4 (0.35) ALDH1A1PTPRCCYP3A4KDM4ETSHR
SCHEMBL22963887 0.80 CYP3A4 (0.35) ALDH1A1PTPRCCYP3A4KDM4ETSHR
SCHEMBL5881107 0.80 CYP3A4 (0.39) ALDH1A1CYP3A4KDM4ETSHRHSD17B10
SCHEMBL9862238 0.80 KDM4E (0.42) ALDH1A1CYP3A4KDM4ETSHRMAPT
SCHEMBL3178902 0.80 IDO1 (0.52) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1906074 0.80 ALDH1A1 (0.38) ALDH1A1PTPRCCYP3A4KDM4ETSHR
SCHEMBL9479917 0.80 IDO1 (0.52) ALDH1A1NPSR1LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072632-B2 Inhibitors of 17β-HSD1, 17β-HSD3 and 17β-HSD10 UNIVERSITé LAVAL (CA) 2021-07-27 US disclosed
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 UNIVERSITé LAVAL (CA) 2014-03-27 US disclosed
EP-2688901-A1 INHIBITORS OF 17ß-HSD1, 17ß-HSD3 AND 17ß-HSD10 Université Laval (CA) 2014-01-29 EP disclosed
WO-2012129673-A1 INHIBITORS OF 17ß-HSD1, 17ß-HSD3 AND 17ß-HSD10 UNIVERSITE LAVAL (CA) 2012-10-04 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 (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-11072632-B2 Inhibitors of 17β-HSD1, 17β-HSD3 and 17β-HSD10 HSD17B11, HSD17B3, HSD17B1 ALDH1A1 104/4885PTPRC 3221/4885GABRA1 1702/4885
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 HSD17B11, HSD17B1, HSD17B3 ALDH1A1 140/4885PTPRC 3643/4885GABRA1 1763/4885

“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.