SCHEMBL1666787

SCHEMBL1666787

CC#Cc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP1B1 Q16678 2/20 0.52
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
APP P05067 3/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ACACB O00763 1/20 0.37
PYCR1 P32322 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL9334226 0.93 CYP1A1 (0.64) CYP1A1CYP1A2CYP1B1CYP2A6ALDH1A1
SCHEMBL3913662 0.85 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1CYP2A6ALDH1A1
SCHEMBL19929691 0.82 CYP2A6 (0.38) CYP1A1CYP1A2CYP1B1CYP2A6ALDH1A1
SCHEMBL20015760 0.82 CYP2A6 (0.57) CYP2A6ALDH1A1ALOX15MAPK1APP
SCHEMBL1246271 0.82 CYP2A6 (0.57) CYP2A6ALDH1A1ALOX15MAPK1APP
SCHEMBL13433268 0.77 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1CYP2A6ALDH1A1
SCHEMBL14788710 0.77 CYP1A1 (0.52) CYP1A1CYP1A2CYP1B1CYP2A6ALDH1A1
SCHEMBL5012561 0.77 CYP2A6 (0.50) CYP2A6ALDH1A1ALOX15MAPK1APP
SCHEMBL7158010 0.77
SCHEMBL10035462 0.76 ALDH1A1 (0.68) CYP1A2CYP2A6ALDH1A1APPACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250314593-A1 DEVICES, METHODS AND KITS FOR DETECTING EXPLOSIVES AND ILLICIT DRUG SUBSTANCES TRACE EYE-D, LLC 2025-10-09 US disclosed
US-20230373900-A1 CYCLOPROPENIUM COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2023-11-23 US disclosed
US-20230373900-A1 CYCLOPROPENIUM COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2023-11-23 US disclosed
WO-2023150396-A1 DEVICES, METHODS AND KITS FOR DETECTING EXPLOSIVES AND ILLICIT DRUG SUBSTANCES TRACE EYE-D, LLC (US) 2023-08-10 WO disclosed
CN-112876507-B Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2022-08-30 CN disclosed
CN-112876507-A Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2021-06-01 CN disclosed
CN-107109221-B Bimesogenic compounds and mesogenic media 默克专利股份有限公司 2021-03-12 CN disclosed
EP-3573993-B1 MOLYBDENUM AND TUNGSTEN ALKYLIDYNE-N-HETEROCYCLIC CARBENE COMPLEXES UNIV STUTTGART (DE) 2020-12-09 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
US-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP disclosed
US-5328637-A Electrooptical devices; deformation of aligned phases and supertwisted nematic applications; miscibility, solubility HOFFMANN-LA ROCHE INC. (US) 1994-07-12 US disclosed
US-4912097-A Novel 11 β-alkynylphenyl-10-nor-steroids ROUSSEL UCLAF (FR) 1990-03-27 US disclosed
EP-0245170-B1 19-NOR OR 19-NOR D-HOMO STEROIDS SUBSTITUTED AT POSITION 11 BETA BY A PHENYL GROUP SUBSTITUTED BY AN ALKYNYL GROUP, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-11-29 EP disclosed
EP-0245170-A1 19-Nor or 19-nor D-homo steroids substituted at position 11 beta by a phenyl group substituted by an alkynyl group, process for their preparation, their use in medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1987-11-11 EP disclosed
US-4609668-A AGRICULTURE SANDOZ LTD. (CH) 1986-09-02 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 (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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 CYP1A1 2257/4885CYP1A2 2810/4885CYP1B1 3110/4885
US-20230373900-A1 CYCLOPROPENIUM COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE DHPS, CYP11B2, PIN1 CYP1A1 94/4885CYP1A2 63/4885CYP1B1 30/4885

“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.