SCHEMBL73350

SCHEMBL73350

[CH2]CCSc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
MAPK1 P28482 1/20 0.70
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
RECQL P46063 1/20 0.42
MAOA P21397 2/20 0.41

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
SCHEMBL16167237 0.86 ALDH1A1 (0.52) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL95488 0.85 ALDH1A1 (0.64) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL97636 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL776647 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16893942 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5145617 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16893559 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5077128 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL95941 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16893772 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521230-A Silicon-containing monomer, photocuring composition, packaging film and organic electroluminescent device comprising packaging film 吉林奥来德光电材料股份有限公司 2022-12-27 CN claimed
CN-114957314-A Compound for film packaging, composition, packaging film and film packaging structure 吉林奥来德光电材料股份有限公司 2022-08-30 CN claimed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US claimed
US-7893087-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-22 US claimed
US-7879874-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-01 US claimed
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME PRAT QUINONES MARIA 2010-09-16 US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US claimed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US claimed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US claimed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
EP-0920414-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-06-09 EP claimed
WO-1997049674-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO claimed
US-5534536-A INHIBITORS OF THROMBOXANE A2 SYNTHETASE, 5-LIPOXYGENASE; SCAVENGERS OF ACTIVE OXYGEN SPECIES ONO PHARMACEUTICALS CO. LTD. (JP) 1996-07-09 US claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0640609-A1 Fused phenol derivatives having inhibitory activity on TXA2 synthetase, and 5-lipoxygenase and scavenging activity on oxygen species ONO PHARMACEUTICAL CO., LTD. (JP) 1995-03-01 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
EP-0172551-A2 2,4-Bis-(alkoxyiminoalkyl)-cyclohexane 1,3-dione BAYER AG (DE) 1986-02-26 EP claimed

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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 2568/4885MAPK1 955/4885CYP1A2 206/4885
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR0B1, NR4A1, NR0B2 ALDH1A1 1880/4885MAPK1 3945/4885CYP1A2 190/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 2568/4885MAPK1 955/4885CYP1A2 206/4885

“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.