SCHEMBL6436012

SCHEMBL6436012

CCOC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP17A1 P05093 2/20 0.41
▸ NR1I2 O75469 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CYP19A1 P11511 5/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38

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
SCHEMBL6439919 1.00 MAPT (0.41) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL6446575 0.89 CYP17A1 (0.40) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL7198892 0.82 MAPT (0.37) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL6443701 0.82 MAPT (0.37) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL7195126 0.82 MAPT (0.37) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL6445681 0.82 MAPT (0.37) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL19961196 0.80 MAPT (0.61) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL16144354 0.80 MAPT (0.61) MAPTLMNACYP3A4CYP17A1NR1I2
SCHEMBL8624760 0.78 SHBG (0.39) CYP3A4CYP19A1SHBG
SCHEMBL7195029 0.78 SHBG (0.57) MAPTLMNACYP3A4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 BIOVIE INC. 2005-07-21 — — US claimed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 — — US claimed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US claimed
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

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-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 HSD17B7, NR5A1, HSD3B1 MAPT 2579/4885LMNA 4071/4885CYP3A4 144/4885
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 MAPT 4612/4885LMNA 436/4885CYP3A4 340/4885

“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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