SCHEMBL3101322

SCHEMBL3101322

[CH2]C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 2/20 0.42
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
LMNA P02545 1/20 0.39

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 0.77 HSD11B1 (0.50) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
Ammonia Solution, Strong SCHEMBL11787415 0.74 HSD11B1 (0.48) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
SCHEMBL133056 0.74 HSD11B1 (0.48) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
SCHEMBL19557168 0.74 HSD11B1 (0.48) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
SCHEMBL546352 0.74 HTT (0.48) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
SCHEMBL12714 0.74 HSD11B1 (0.48) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
SCHEMBL19557166 0.74 HSD11B1 (0.48) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
SCHEMBL4389277 0.72 HSD11B1 (0.46) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL1061147 0.72 L3MBTL1 (0.50) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1
SCHEMBL6860439 0.72 HSD11B1 (0.46) HSD11B1L3MBTL1EPHX1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
EP-1192141-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS AstraZeneca UK Limited (GB) 2002-04-03 EP claimed
EP-1140863-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000078736-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS ASTRAZENECA UK LIMITED (GB) 2000-12-28 WO claimed
WO-2000039105-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2000-07-06 WO claimed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO claimed
US-10088750-B2 Acid diffusion control agent, radiation-sensitive resin composition, resist pattern-forming method, compound, and production method JSR CORPORATION (JP) 2018-10-02 US disclosed
US-20170131632-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD JSR CORPORATION (JP) 2017-05-11 US disclosed
US-9588423-B2 Acid diffusion control agent, radiation-sensitive resin composition, resist pattern-forming method, compound, and production method JSR CORPORATION (JP) 2017-03-07 US disclosed
US-20150079520-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD JSR CORPORATION (JP) 2015-03-19 US disclosed
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 US disclosed
EP-1192141-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS AstraZeneca UK Limited (GB) 2002-04-03 EP disclosed
EP-1140863-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000078736-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS ASTRAZENECA UK LIMITED (GB) 2000-12-28 WO disclosed
WO-2000039105-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 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 (5 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-20170131632-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD RER1, RFC4, RFC2 HSD11B1 2435/4885L3MBTL1 1425/4885EPHX1 1095/4885
US-20150079520-A1 ACID DIFFUSION CONTROL AGENT, RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD RER1, RFC4, RFC2 HSD11B1 2435/4885L3MBTL1 1425/4885EPHX1 1095/4885
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 HSD11B1 1173/4885L3MBTL1 2414/4885EPHX1 428/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 HSD11B1 1244/4885L3MBTL1 4154/4885EPHX1 909/4885
US-10088750-B2 Acid diffusion control agent, radiation-sensitive resin composition, resist pattern-forming method, compound, and production method RER1, RFC4, RFC2 HSD11B1 2435/4885L3MBTL1 1425/4885EPHX1 1095/4885

“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.