SCHEMBL1716112

SCHEMBL1716112

CC(C)CC(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
KCNQ2 O43526 1/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CTSL P07711 1/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APAF1 O14727 1/20 0.46
MME P08473 1/20 0.45

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
SCHEMBL7160698 0.89 CTSK (0.64) CYP2C19CTSSCTSKPSEN1PSEN2
SCHEMBL7973743 0.87 CYP2C19 (0.61) CYP2C19LMNAALDH1A1CYP2D6SRC
SCHEMBL2120942 0.86 CTSS (0.49) CYP2C19CTSSCTSKKCNQ2LMNA
SCHEMBL27659178 0.86 CYP2C19 (0.52) CYP2C19LMNAPTGS1CYP2D6SRC
SCHEMBL2872818 0.86 APAF1 (0.53) CYP2C19LMNAALDH1A1PTGS1PTGS2
SCHEMBL4039064 0.84 CTSK (0.67) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL4309572 0.84 CTSK (0.67) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL4310706 0.84 CTSK (0.67) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL7381199 0.84 PTGS1 (0.54) CTSSCTSKPTGS1CTSLCYP2D6
SCHEMBL8583905 0.84 CYP2C19 (0.50) CYP2C19LMNAPTGS1PTGS2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2047908-B1 METHOD FOR PREPARING A HYDROGENATION CATALYST COMPOSITION AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-02-22 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO claimed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 CN claimed
CN-1354740-A Pharmaceutical compounds NICOX SA (FR) 2002-06-19 CN claimed
CN-115803309-B Odorous compounds and process for their preparation 丝趣科尔卡有限公司 2024-10-11 CN disclosed
CN-107847958-B Switchable digital scent generation and release and vapor and liquid delivery methods and systems 加利福尼亚大学董事会 2024-01-16 CN disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
CN-114795402-A Scoring balloon with translating score line 巴德股份有限公司 2022-07-29 CN disclosed
EP-3914685-A1 MULTI-COMPONENT CLEANING SYSTEM Henkel AG & Co. KGaA (DE) 2021-12-01 EP disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
EP-0693254-A1 Gel formulations containing insecticides for vaporizer systems BAYER AG (DE) 1996-01-24 EP disclosed
EP-0675103-A2 Derivatives of essential fatty acids and nonsteroidal antiinflammatory drugs SCOTIA HOLDINGS PLC (GB) 1995-10-04 EP disclosed
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed
EP-0340289-A1 LIQUID IBUPROFEN COMPOSITIONS AND METHODS OF MAKING THEM ORATECH PHARMACEUTICAL DEVELOPMENT CORPORATION (US) 1989-11-08 EP disclosed
US-4264582-A IN CONJUNCTION WITH A PHOSPHONATE COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1981-04-28 US disclosed
US-4186270-A CHLOROMETHYLATION, CONVERSION TO NITRILE, METHYLATION OR ETHYLATION, HYDROLYSIS THE DOW CHEMICAL COMPANY (US) 1980-01-29 US 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE CYP2C19 4716/4885CTSS 406/4885CTSK 371/4885

“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.