SCHEMBL223719

SCHEMBL223719

c1ccc(CCSc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
CYP2D6 P10635 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
HIF1A Q16665 1/20 0.76
ALDH1A1 P00352 3/20 0.70
MAPK1 P28482 1/20 0.70
MAOA P21397 3/20 0.64
MAOB P27338 3/20 0.64
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA13 Q8N1Q1 1/20 0.60
HDAC1 Q13547 1/20 0.59
MEN1 O00255 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
MCL1 Q07820 1/20 0.49

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
SCHEMBL1932895 0.88 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2886942 0.87 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL21331798 0.87 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL6564283 0.87 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
Fluoride SCHEMBL9841803 0.85 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
Fluoride SCHEMBL9841585 0.85 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL155779 0.84 MAOA (0.59) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL4612754 0.84 MAOA (0.59) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL11705729 0.84 MAOB (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL1709979 0.84 RAB9A (0.60) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
US-11192908-B2 Octamolybdate compounds exhibiting bright emission NANOCO 2D MATERIALS LIMITED (GB) 2021-12-07 US disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
EP-3837267-A1 POLYOXOMETALATE COMPOUNDS EXHIBITING BRIGHT EMISSION AND METHODS OF PRODUCING THE SAME Nanoco 2D Materials Limited (GB) 2021-06-23 EP disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
CN-112533934-A Polyoxometallate compounds exhibiting bright emission and methods of making the same 纳米2D材料有限公司 2021-03-19 CN disclosed
US-10928727-B2 Actinic ray-sensitive or radiation-sensitive resin composition, actinic ray-sensitive or radiation-sensitive film, mask blank including actinic ray-sensitive or radiation-sensitive film, pattern forming method, and method for manufacturing FUJIFILM CORPORATION (JP) 2021-02-23 US disclosed
WO-2020035670-A1 POLYOXOMETALATE COMPOUNDS EXHIBITING BRIGHT EMISSION AND METHODS OF PRODUCING THE SAME NANOCO 2D MATERIALS LIMITED (GB) 2020-02-20 WO disclosed
EP-1199603-A1 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2002-04-24 EP disclosed
US-6376152-B2 MIXTURE OF A COMPOUND WHICH GENERATES AN ACID UPON RADIATION, RESIN AND NITROGEN-CONTAINING COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2002-04-23 US disclosed
US-20020006578-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2002-01-17 US disclosed
EP-1158363-A1 Positive resist composition and onium salts of saccharin derivatives FUJI PHOTO FILM CO., LTD. (JP) 2001-11-28 EP disclosed
US-20010041300-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2001-11-15 US disclosed
US-20010021479-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2001-09-13 US disclosed
US-20010008739-A1 Positive photoresist composition for exposure to far ultraviolet ray FUJIFILM CORPORATION (JP) 2001-07-19 US disclosed
US-4656290-A Process for preparing thio, dithio or carbonyl compounds CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1987-04-07 US disclosed
US-4267375-A REFLUXING THIOPHENOL IN BENZENE USING ZINC CHLORIDE AS CATALYST WITH PHENYL-/-OR 2- HYDROXYPHENETHYL SULFIDE S.A. TEXACO BELGIUM N.V. (BE) 1981-05-12 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 (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-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY CYP1A2 585/4885CYP2D6 1107/4885CYP2C19 1206/4885
US-11192908-B2 Octamolybdate compounds exhibiting bright emission KCNN4, PUF60, OCIAD1 CYP1A2 3121/4885CYP2D6 2936/4885CYP2C19 3086/4885
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION AOX1, TYR, CXXC4 CYP1A2 58/4885CYP2D6 136/4885CYP2C19 362/4885

“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.