SCHEMBL5897156

SCHEMBL5897156

CCOC(=O)OC1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)OCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ NR1I2 O75469 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ NR3C1 P04150 1/20 0.57
▸ CYP17A1 P05093 1/20 0.57
▸ PGR P06401 1/20 0.57
▸ AR P10275 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ CYP19A1 P11511 5/20 0.54
▸ PSEN1 P49768 1/20 0.52
▸ PSEN2 P49810 1/20 0.52
▸ APH1B Q8WW43 1/20 0.52
▸ NCSTN Q92542 1/20 0.52
▸ APH1A Q96BI3 1/20 0.52
▸ PSENEN Q9NZ42 1/20 0.52
▸ SHBG P04278 2/20 0.47

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
SCHEMBL6445626 0.94 CYP3A4 (0.58) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6447931 0.94 CYP3A4 (0.58) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6446010 0.94 CYP3A4 (0.56) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6446961 0.94 CYP3A4 (0.56) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6442029 0.90 SHBG (0.61) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6443719 0.90 SHBG (0.61) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6439351 0.90 SHBG (0.61) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6442531 0.88 CYP3A4 (0.52) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6442628 0.88 CYP3A4 (0.52) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL6444105 0.87 CYP3A4 (0.55) CYP3A4LMNAMAPTNR1I2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060024341-A1 Microemulsion composition and related method BIOTEST LABORATORIES, LLC 2006-02-02 — — US claimed
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration ROBERTS WILLIAM J (US) 2003-07-17 — — US claimed
US-20030134831-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US claimed
US-20060024341-A1 Microemulsion composition and related method BIOTEST LABORATORIES, LLC 2006-02-02 — — US disclosed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 — — US disclosed
US-6740646-B2 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2004-05-25 — — US disclosed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US disclosed
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration ROBERTS WILLIAM J (US) 2003-07-17 — — US disclosed
US-20030134831-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US 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-20060024341-A1 Microemulsion composition and related method LIPA, SGMS1, SGMS2 CYP3A4 1827/4885LMNA 957/4885MAPT 1902/4885
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 CYP3A4 340/4885LMNA 436/4885MAPT 4612/4885

“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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