SCHEMBL6705535

SCHEMBL6705535

CCCCC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 8/20 0.67
NR3C1 P04150 6/20 0.67
PGR P06401 5/20 0.67
ALDH1A1 P00352 3/20 0.67
ADRA1A P35348 1/20 0.67
HTR2B P41595 1/20 0.67
LMNA P02545 10/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
TSHR P16473 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HIF1A Q16665 3/20 0.64
CYP2C19 P33261 3/20 0.64
AR P10275 3/20 0.64
THRB P10828 1/20 0.64
ESR1 P03372 1/20 0.64
CYP3A4 P08684 4/20 0.62
MAPT P10636 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
ADORA3 P0DMS8 2/20 0.62

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
SCHEMBL6705536 1.00 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10393805 0.97 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL11728942 0.97 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL8236612 0.97 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
Topterone SCHEMBL11730925 0.92 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
Topterone SCHEMBL140769 0.92 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
Topterone SCHEMBL8846971 0.92 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
Topterone SCHEMBL3844149 0.92 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10891364 0.92 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10891355 0.92 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 US disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 EP disclosed
US-6569953-B1 Oxyalkylation GEORGIA-PACIFIC RESINS, INC. 2003-05-27 US disclosed
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 EP disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 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-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 SHBG 33/4885NR3C1 458/4885PGR 521/4885

“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.