SCHEMBL2476440

SCHEMBL2476440

CCCCC(CC)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 5/20 0.43
CA2 P00918 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 2/20 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
SCHEMBL29786761 0.99 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2L3MBTL1LMNA
SCHEMBL27813828 0.96 PRSS1 (0.44) ALDH1A1CYP3A4CA2L3MBTL1LMNA
SCHEMBL3416137 0.94 PRSS1 (0.46) ALDH1A1CYP3A4CA2L3MBTL1LMNA
SCHEMBL4298010 0.94 CA12 (0.42) ALDH1A1CYP3A4CA2LMNACA12
SCHEMBL29132700 0.91 CA2 (0.45) ALDH1A1CYP3A4CA2CA12CA9
SCHEMBL20561114 0.90 MCHR1 (0.43) ALDH1A1CYP3A4CA2LMNACA12
SCHEMBL23533337 0.90 MCHR1 (0.42) ALDH1A1CYP3A4CA2LMNACA12
SCHEMBL7741899 0.89 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL13608639 0.88 MCHR1 (0.44) ALDH1A1CYP3A4CA2LMNACA12
SCHEMBL1770004 0.88 MCHR1 (0.44) ALDH1A1CYP3A4CA2LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931630-B1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIV FLORIDA (US) 2010-05-12 EP claimed
US-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-06-11 US claimed
WO-2008147472-A1 ETHERS OF BISANHYDROHEXITOLS NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2008-12-04 WO claimed
EP-1931630-A1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES University of Florida Research Foundation, Incorporated (US) 2008-06-18 EP claimed
US-20080021209-A1 Ethers of bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2008-01-24 US claimed
WO-2007041724-A1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-04-12 WO claimed
US-6326122-B1 HEAT SENSITIVE ELEMENTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-12-04 US claimed
CN-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 CN disclosed
CN-114736355-A Electron transport layer material for perovskite solar cell and preparation method and application thereof 华能新能源股份有限公司 2022-07-12 CN disclosed
US-10840397-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2020-11-17 US disclosed
US-10752780-B2 Chromophores for photochromic compositions useful for three dimensional display applications NITTO DENKO CORPORATION (JP) 2020-08-25 US disclosed
US-10461201-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2019-10-29 US disclosed
WO-2019000236-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
EP-0759445-A1 Catalyst for olefin polymerization and method for producing olefin polymers using the same MITSUBISHI CHEMICAL CORPORATION (JP) 1997-02-26 EP disclosed
EP-0738138-A1 QUATERNARY SALTS OF PARA-DIALKYLAMINO BENZAMIDE DERIVATIVES ISP Van Dyk Inc. (US) 1996-10-23 EP disclosed
EP-0738138-A4 QUATERNARY SALTS OF PARA-DIALKYLAMINO BENZAMIDE DERIVATIVES ISP VAN DYK INC (US) 1996-07-08 EP disclosed
US-5451394-A Quaternary salts of para-dialkylamino benzamide derivatives ISP VAN DYK INC. (US) 1995-09-19 US disclosed
WO-1995005797-A1 QUATERNARY SALTS OF PARA-DIALKYLAMINO BENZAMIDE DERIVATIVES ISP VAN DYK INC. (US) 1995-03-02 WO disclosed
EP-0124577-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-14 EP disclosed
WO-1984001947-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 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 (2 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-10752780-B2 Chromophores for photochromic compositions useful for three dimensional display applications CRY1, RB1, BRD3 ALDH1A1 1681/4885CYP3A4 1279/4885CA2 2779/4885
US-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles PAH, DDT, DHPS ALDH1A1 430/4885CYP3A4 17/4885CA2 4474/4885

“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.