SCHEMBL6703978

SCHEMBL6703978

C=C1C[C@@H]2[C@@H](CC[C@@]3(C)[C@H]2CCC3(O)CCCCC)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.46
▸ STS P08842 6/20 0.46
▸ NR3C1 P04150 4/20 0.46
▸ PGR P06401 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MLNR O43193 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6703976 1.00 CYP17A1 (0.46) CYP17A1STSNR3C1PGRMEN1
SCHEMBL11647501 0.92 CYP17A1 (0.48) CYP17A1NR3C1PGRMEN1KMT2A
SCHEMBL11647496 0.92 CYP17A1 (0.48) CYP17A1NR3C1PGRMEN1KMT2A
SCHEMBL6705536 0.82 SHBG (0.67) NR3C1PGRMEN1KMT2ALMNA
SCHEMBL6705535 0.82 SHBG (0.67) NR3C1PGRMEN1KMT2ALMNA
SCHEMBL9128571 0.82 SHBG (0.65) CYP17A1NR3C1PGRMEN1KMT2A
SCHEMBL9128581 0.82 SHBG (0.65) CYP17A1NR3C1PGRMEN1KMT2A
SCHEMBL11240496 0.79 LMNA (0.68) CYP17A1NR3C1PGRMEN1KMT2A
SCHEMBL11728942 0.79 SHBG (0.68) NR3C1PGRMEN1KMT2ALMNA
SCHEMBL8236612 0.79 SHBG (0.68) NR3C1PGRMEN1KMT2ALMNA

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-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 — — 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 CYP17A1 10/4885STS 53/4885NR3C1 458/4885

“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.

Send feedback