SCHEMBL546352

SCHEMBL546352

[O]C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
HSD11B1 P28845 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XBP1 P17861 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL251840 0.79 HSD11B1 (0.50) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL133056 0.77 HSD11B1 (0.48) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL19557166 0.77 HSD11B1 (0.48) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL12714 0.77 HSD11B1 (0.48) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL19557168 0.77 HSD11B1 (0.48) HTTALDH1A1CRHBPCRHR2MCOLN3
Ammonia Solution, Strong SCHEMBL11787415 0.77 HSD11B1 (0.48) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL23780828 0.76 HSD11B1 (0.56) ALDH1A1HSD11B1KDM4EMEN1KMT2A
SCHEMBL5487136 0.74 HSD11B1 (0.46) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL2672258 0.74 HSD11B1 (0.46) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL4389277 0.74 HSD11B1 (0.46) HTTALDH1A1CRHBPCRHR2MCOLN3

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 373 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
US-20130131091-A1 HARMFUL ORGANISM CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2013-05-23 US claimed
EP-2578084-A1 NOXIOUS ORGANISM CONTROL AGENT Meiji Seika Pharma Co., Ltd. (JP) 2013-04-10 EP claimed
EP-0693285-B1 Pharmaceutical compositions containing a bisphosphonate and an anti-resorptive agent for inhibiting bone loss LILLY CO ELI (US) 2002-02-06 EP claimed
EP-0653427-B1 Galanthamine derivatives, a process for their preparation and their use as medicaments AVENTIS PHARMA INC (US) 2002-01-23 EP claimed
US-20010051636-A1 Combination treatment for inhibiting bone loss BLACK LARRY J (US) 2001-12-13 US claimed
US-6323195-B1 ENZYME INHIBITORS AND COGNITION ACTIVATORS AVENTIS PHARMACEUTICALS INC. 2001-11-27 US claimed
CN-1315955-A Novel carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2001-10-03 CN claimed
EP-0635264-B1 Antiestrogenic 2-phenyl-3-aroylbenzothiophenes as hypoglycemic agents LILLY CO ELI (US) 1997-09-10 EP claimed
EP-0693285-A2 Pharmaceutical compositions containing a bisphosphonate and an anti-resorptive agent for inhibiting bone loss ELI LILLY AND COMPANY (US) 1996-01-24 EP claimed
EP-0653427-A1 Galanthamine derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-05-17 EP claimed
EP-0635264-A2 Antiestrogens as hypoglycemic agents ELI LILLY AND COMPANY (US) 1995-01-25 EP claimed
US-4218457-A ANTICANCER ACTIVITY AND IMMUNOSTIMULATING ACTIVITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-08-19 US claimed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS HTT 706/4885ALDH1A1 201/4885CRHBP 3584/4885
US-20130131091-A1 HARMFUL ORGANISM CONTROL AGENT PRXL2A, O60361, H1-10 HTT 162/4885ALDH1A1 1827/4885CRHBP 2150/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD HTT 3775/4885ALDH1A1 24/4885CRHBP 1770/4885
US-20010051636-A1 Combination treatment for inhibiting bone loss SOST, BMP2, PTH1R HTT 2654/4885ALDH1A1 1610/4885CRHBP 1036/4885

“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.