SCHEMBL6894352

SCHEMBL6894352

COc1ccc(C(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.68
▸ LMNA P02545 8/20 0.68
▸ TSHR P16473 5/20 0.68
▸ MAPT P10636 5/20 0.68
▸ NR3C1 P04150 4/20 0.68
▸ PGR P06401 4/20 0.68
▸ AR P10275 4/20 0.68
▸ NR1I2 O75469 3/20 0.68
▸ CYP2C9 P11712 3/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ CYP17A1 P05093 2/20 0.68
▸ OPRK1 P41145 1/20 0.68
▸ CYP19A1 P11511 3/20 0.67
▸ HSD17B10 Q99714 4/20 0.59
▸ SHBG P04278 4/20 0.59
▸ SERPINA6 P08185 4/20 0.59
▸ MAPK1 P28482 4/20 0.59
▸ GPBAR1 Q8TDU6 3/20 0.59
▸ SIGMAR1 Q99720 3/20 0.59
▸ SNCA P37840 2/20 0.59

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
SCHEMBL6894357 1.00 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6897111 0.91 CYP3A4 (0.69) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6897116 0.91 CYP3A4 (0.69) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6901285 0.91 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6901280 0.91 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6902307 0.91 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6902306 0.91 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL4264019 0.90 CYP3A4 (0.71) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL4264017 0.90 CYP3A4 (0.71) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6902002 0.90 CYP3A4 (0.65) CYP3A4LMNATSHRMAPTNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235808-A1 Androstanes as androgen receptor modulators WANG JIABING (US) 2004-11-25 — — US claimed
EP-1429779-A2 ANDROSTANES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-06-23 — — EP claimed
WO-2003026568-A2 ANDROSTANES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-04-03 — — WO claimed
US-20040235808-A1 Androstanes as androgen receptor modulators WANG JIABING (US) 2004-11-25 — — US disclosed
EP-1429779-A2 ANDROSTANES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-06-23 — — EP disclosed
WO-2003026568-A2 ANDROSTANES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-04-03 — — 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-20040235808-A1 Androstanes as androgen receptor modulators SHBG, FSHR, AR CYP3A4 695/4885LMNA 3934/4885TSHR 231/4885

“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.

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