SCHEMBL622169

SCHEMBL622169

CCCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.39
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ THRB P10828 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ LPAR3 Q9UBY5 3/20 0.31
▸ LPAR1 Q92633 2/20 0.31

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
SCHEMBL8076746 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL31039441 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL29928092 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL9671669 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL18746891 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL13645501 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL5652054 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL8072599 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL27161205 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1
SCHEMBL7535856 0.98 DUT (0.38) DUTTSHRALDH1A1TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 — — US disclosed
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-09-29 — — US disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 — — US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 — — US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 — — US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 — — US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 — — US disclosed
EP-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 — — EP disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 — — WO disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — US disclosed
EP-0679152-B1 ANTI-ANDROGENIC CYCLO AND BICYCLO ALKENES COSMOS PHARM CORP (US) 1997-08-27 — — EP disclosed
EP-0679152-A1 ANTI-ANDROGENIC CYCLO AND BICYCLO ALKENES. LAFOR LAB LTD (US) 1995-11-02 — — EP disclosed
EP-0399633-B1 Leukotriene B4 derivatives, process for their preparation and their use as medicines SCHERING AG (DE) 1994-11-30 — — EP disclosed
WO-1994015900-A1 ANTI-ANDROGENIC CYCLO AND BICYCLO ALKENES LAFOR LABORATORIES LIMITED (US) 1994-07-21 — — WO disclosed
US-5264619-A Anti-androgenic cyclo and bicyclo alkenes LAFOR LABORATORIES LIMITED (US) 1993-11-23 — — US disclosed
WO-1990014329-A1 LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-11-29 — — WO disclosed
EP-0399633-A1 Leukotriene B4 derivatives, process for their preparation and their use as medicines SCHERING AKTIENGESELLSCHAFT (DE) 1990-11-28 — — EP 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 (6 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-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA DUT 1587/4885ADRB2 161/4885ADRB1 75/4885
US-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX DUT 2012/4885ADRB2 3417/4885ADRB1 3818/4885
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF DUT 4087/4885ADRB2 416/4885ADRB1 328/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX DUT 2012/4885ADRB2 3417/4885ADRB1 3818/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX DUT 2012/4885ADRB2 3417/4885ADRB1 3818/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 DUT 482/4885ADRB2 4658/4885ADRB1 4594/4885

“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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