SCHEMBL4940493

SCHEMBL4940493

OC(O)[C@@]12CCC[C@H]1[C@@H]1CCC3=CCCC[C@@H]3[C@H]1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.51
▸ CHRM2 P08172 3/20 0.51
▸ SLC6A2 P23975 3/20 0.51
▸ SLC6A4 P31645 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ ACHE P22303 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ PGR P06401 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ MAOA P21397 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ADORA3 P0DMS8 2/20 0.47
▸ AR P10275 2/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ CHRM1 P11229 1/20 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
SCHEMBL4944917 0.82 SHBG (0.36) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL9543840 0.80 CYP19A1 (0.55) ESR1SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL3775778 0.77 ESR1 (0.55) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL2508395 0.77 ESR1 (0.57) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL11874257 0.77 ESR1 (0.57) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL11866439 0.75 SLC6A4 (0.61) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL30361235 0.74 ESR1 (0.57) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL30697545 0.72 SHBG (0.34) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL30944712 0.72 CYP19A1 (0.32) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL9199648 0.71 ESR1 (0.64) ESR1CHRM2SLC6A2SLC6A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003002058-A9 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX INC (US) 2004-07-08 — — WO claimed
EP-1404344-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE Anabonix, Inc. (US) 2004-04-07 — — EP claimed
US-20030119800-A1 Bone anabolic compounds and methods of use BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-06-26 — — US claimed
WO-2003002058-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX, INC. (US) 2003-01-09 — — WO claimed
WO-1993025569-A1 OESTRADIOL PRODRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-12-23 — — WO claimed
CN-113243458-B Novel prebiotics and application thereof in livestock and poultry breeding 云南省畜牧兽医科学院 2022-02-11 — — CN disclosed
CN-113243458-A Novel prebiotics and application thereof in livestock and poultry breeding 云南省畜牧兽医科学院 2021-08-13 — — CN disclosed
US-20080075772-A1 PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS ACCU-BREAK TECHNOLOGIES, INC. 2008-03-27 — — US disclosed
WO-2003002058-A9 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX INC (US) 2004-07-08 — — WO disclosed
EP-1404344-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE Anabonix, Inc. (US) 2004-04-07 — — EP disclosed
US-20030119800-A1 Bone anabolic compounds and methods of use BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-06-26 — — US disclosed
WO-2003002058-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX, INC. (US) 2003-01-09 — — WO disclosed
WO-1993025569-A1 OESTRADIOL PRODRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-12-23 — — 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-20030119800-A1 Bone anabolic compounds and methods of use SHBG, BMP2, BMP4 ESR1 220/4885CHRM2 2294/4885SLC6A2 2909/4885

“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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