SCHEMBL6696320

SCHEMBL6696320

COCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.77
LMNA P02545 2/20 0.77
MAPT P10636 2/20 0.77
RECQL P46063 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 1/20 0.73
STS P08842 9/20 0.69
ESR1 P03372 3/20 0.68
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA9 Q16790 3/20 0.68
ESR2 Q92731 2/20 0.68
ABCC4 O15439 1/20 0.68
CYP2C9 P11712 1/20 0.68
ABCC1 P33527 1/20 0.68
SLCO1B1 Q9Y6L6 1/20 0.68
CA4 P22748 1/20 0.68
CA6 P23280 1/20 0.68
CYP3A4 P08684 3/20 0.64

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
SCHEMBL7755033 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10134113 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6700171 0.91 HSD17B1 (0.78) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6691697 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11672003 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14044784 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6694124 0.90 KDM4E (0.71) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL9633204 0.89 KDM4E (0.75) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14377634 0.89 KDM4E (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11671118 0.88 HSD17B1 (0.78) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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 HSD17B1 3/4885LMNA 3211/4885MAPT 3871/4885

“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.