Sugi Predict

Sugi Predict / Compounds / SCHEMBL1090847

SCHEMBL1090847

SCHEMBL1090847

CCOC(=O)c1cc(C(C)C)on1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ SMN1; SMN2 Q16637 11/20 0.52
▸ CYP1A2 P05177 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 2/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL346323 0.88 THRB (0.48) THRBALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL12775995 0.87 THRB (0.47) THRBALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL20738260 0.87 THRB (0.47) THRBALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL9259866 0.87 THRB (0.47) THRBALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL13962011 0.87 THRB (0.47) THRBALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL13732556 0.85 THRB (0.46) THRBALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL25246107 0.85 THRB (0.48) THRBALDH1A1HPGDTP53CYP1A2
SCHEMBL26527397 0.84 THRB (0.45) THRBALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL21523649 0.83 MEN1 (0.45) THRBALDH1A1HPGDTP53CYP1A2
SCHEMBL5823373 0.83 MEN1 (0.45) THRBALDH1A1HPGDTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 — — WO disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 — — US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 — — US disclosed
US-11873290-B2 — — 2024-01-16 — — US disclosed
US-11873290-B2 — — 2024-01-16 — — US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 — — EP disclosed
EP-3877376-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS INC (US) 2023-08-23 — — EP disclosed
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 — — US disclosed
CN-116171279-A Macrocyclic compounds and uses thereof 荣山医药股份有限公司 2023-05-26 — — CN disclosed
EP-4178958-A1 MACROCYCLES AND THEIR USE Blossomhill Therapeutics, Inc. (US) 2023-05-17 — — EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 — — WO disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 — — US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 — — US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 — — US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 — — WO disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 — — EP disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 — — US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 — — US disclosed
EP-0986562-A1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-03-22 — — EP disclosed
WO-1998050385-A1 SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-11-12 — — 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 (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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 THRB 191/4885ALDH1A1 2007/4885HPGD 1692/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 THRB 191/4885ALDH1A1 2007/4885HPGD 1692/4885
US-11873290-B2 — IL6, MUSK, IL6ST THRB 3230/4885ALDH1A1 190/4885HPGD 95/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 THRB 191/4885ALDH1A1 2007/4885HPGD 1692/4885
US-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD THRB 4251/4885ALDH1A1 3417/4885HPGD 943/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A THRB 3089/4885ALDH1A1 270/4885HPGD 69/4885

“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.