SCHEMBL548361

SCHEMBL548361

COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
XBP1 P17861 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
IDO1 P14902 2/20 0.44
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
DHODH Q02127 1/20 0.40
SRC P12931 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ESRRB O95718 1/20 0.39
GAA P10253 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2002642 0.91 CES2 (0.54) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL12311740 0.91 CES2 (0.54) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL15163694 0.86 LMNA (0.48) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL15163695 0.86 LMNA (0.48) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL6883495 0.86 MAPT (0.47) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL18078309 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL18078308 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL9228872 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL9228875 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL13178560 0.84 TDP1 (0.48) ALDH1A1MAPK1LMNARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894792-A Purification method of pentaerythritol tetra (2-cyano-3, 3-diphenyl acrylate) 朗亿新材料(烟台)有限责任公司 2024-11-05 CN claimed
CN-115850694-B Polymeric carbodiimide compound hydrolysis-resistant agent and preparation method and application thereof 上海朗亿功能材料有限公司 2024-06-18 CN claimed
CN-115850694-A Polymeric carbodiimide compound hydrolysis-resistant agent and preparation method and application thereof 上海朗亿功能材料有限公司 2023-03-28 CN claimed
CN-110256289-B Preparation method of ultraviolet absorbent UV-3030 威海金威化学工业有限责任公司 2022-04-22 CN claimed
CN-110256289-A A kind of preparation method of ultraviolet absorbing agent UV-3030 威海金威化学工业有限责任公司 2019-09-20 CN claimed
CN-118894792-A Purification method of pentaerythritol tetra (2-cyano-3, 3-diphenyl acrylate) 朗亿新材料(烟台)有限责任公司 2024-11-05 CN disclosed
US-12133902-B2 Dental composition GC CORPORATION (JP) 2024-11-05 US disclosed
CN-115745835-B Preparation method of pentaerythritol tetra (2-cyano-3, 3-diphenyl acrylate) 上海朗亿功能材料有限公司 2024-06-18 CN disclosed
CN-115850694-B Polymeric carbodiimide compound hydrolysis-resistant agent and preparation method and application thereof 上海朗亿功能材料有限公司 2024-06-18 CN disclosed
CN-113122269-B Ultraviolet light absorber 光学转变公司 2024-05-28 CN disclosed
WO-2023141091-A1 SHAPED ARTIFICIAL POLYMER ARTICLES WITH CLOSED-CELL METAL OXIDE PARTICLES BASF SE (DE) 2023-07-27 WO disclosed
US-20230210755-A1 FUNCTIONAL SKIN COATING POLYMER THE JOHNS HOPKINS UNIVERSITY 2023-07-06 US disclosed
WO-2004026197-A2 NOVEL PHOTOSTABILIZERS, UV ABSORBERS, AND METHODS OF PHOTOSTABILIZING A SUNSCREEN COMPOSITION CPH INNOVATIONS CORPORATION (US) 2004-04-01 WO disclosed
US-20040057916-A1 Novel photostabilizers, UV absorbers, and methods of photostablizing a sunscreen composition THE C.P. HALL COMPANY 2004-03-25 US disclosed
US-20030176542-A1 Resin composition TOKUYAMA CORPORATION 2003-09-18 US disclosed
EP-1323743-A2 Resin composition TOKUYAMA CORPORATION (JP) 2003-07-02 EP disclosed
EP-0652253-B1 Cycloolefin resin compositions MITSUI CHEMICALS INC (JP) 2000-05-03 EP disclosed
EP-0652253-A2 Cycloolefin resin compositions MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-05-10 EP disclosed
US-5395869-A Thermally stabilized thermoplastic cycloolefin in resin compositions MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
EP-0423346-A1 CYCLOOLEFINIC RESIN COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-24 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 (3 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-20230210755-A1 FUNCTIONAL SKIN COATING POLYMER CUTA, PUF60, SUN2 ALDH1A1 1197/4885MAPK1 4154/4885LMNA 2192/4885
US-12133902-B2 Dental composition TAS2R45, TAS2R40, TAS2R42 ALDH1A1 167/4885MAPK1 4702/4885LMNA 878/4885
US-20040057916-A1 Novel photostabilizers, UV absorbers, and methods of photostablizing a sunscreen composition UROD, UNG, ALAD ALDH1A1 228/4885MAPK1 4251/4885LMNA 2638/4885

“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.