SCHEMBL172445

SCHEMBL172445

Cc1ccc2ccoc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
CYP1A2 P05177 3/20 0.48
HTR1B P28222 5/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL827503 0.94 CYP2A6 (0.42) CYP2A6CYP1A2HTR1BKDM4ECYP3A4
SCHEMBL21500400 0.83 CA2 (0.49) CYP2A6HTR1BKDM4ECYP3A4CYP2D6
Morpholine SCHEMBL28247332 0.82 APEX1 (0.40) CYP2A6CYP1A2HTR1BKDM4ECYP3A4
SCHEMBL30455978 0.81 CTNNB1 (0.54) CYP2A6CYP1A2HTR1BCTNNB1WNT3A
SCHEMBL172397 0.81 CTNNB1 (0.54) CYP2A6CYP1A2HTR1BCTNNB1WNT3A
SCHEMBL18574533 0.79 PIN1 (0.41) CYP1A2HTR1BKDM4ECYP3A4CYP2D6
SCHEMBL29078438 0.78 EGFR (0.45) CYP2A6CYP1A2HTR1BKDM4ECYP3A4
Benzene SCHEMBL28069373 0.77 MAOB (0.52) CYP2A6CYP1A2HTR1BKDM4ECTNNB1
SCHEMBL29756248 0.75 DYRK1A (0.50) CYP2A6HTR1BKDM4ECYP3A4CYP2D6
SCHEMBL21240994 0.74 CCR1 (0.50) CYP2A6HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484467-A Preparation method of sitagliptin intermediate 雅本化学股份有限公司 2020-08-04 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
EP-3082884-B1 AIR CARE AND CLEANING PRODUCTS CONTAINING CNGA2 ANTAGONISTS HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
EP-3083910-B1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT HENKEL AG & CO KGAA (DE) 2017-09-06 EP claimed
EP-3083910-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT Henkel AG & Co. KGaA (DE) 2016-10-26 EP claimed
EP-3082884-A1 AIR CARE AND CLEANING PRODUCTS CONTAINING CNGA2 ANTAGONISTS Henkel AG & Co. KGaA (DE) 2016-10-26 EP claimed
US-20160289594-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT HENKEL AG & CO. KGAA (DE) 2016-10-06 US claimed
WO-2015091056-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT HENKEL AG & CO. KGAA (DE) 2015-06-25 WO claimed
WO-2015091055-A1 AIR CARE AND CLEANING PRODUCTS CONTAINING CNGA2 ANTAGONISTS HENKEL AG & CO. KGAA (DE) 2015-06-25 WO claimed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US claimed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP claimed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO claimed
EP-3860994-B1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2024-08-14 EP disclosed
US-20240239754-A1 PHENANTHROIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF GUANGDONG UNIVERSITY OF TECHNOLOGY (CN) 2024-07-18 US disclosed
US-20240239754-A1 PHENANTHROIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF GUANGDONG UNIVERSITY OF TECHNOLOGY (CN) 2024-07-18 US disclosed
EP-0132130-A2 Aroyl benzofuran and benzothiophene acetic and propionic acids processes for their production and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-23 EP disclosed
US-4372970-A NONPHYTOTOXIC, PHOTOSTABLE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1983-02-08 US disclosed
WO-1981001408-A1 SUBSTITUTED ACETIC ACID ESTERS AS PESTICIDES SOREX LTD (GB) 1981-05-28 WO disclosed
EP-0029360-A1 Pesticidal compounds, compositions containing them and methods of killing arthropods using them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-05-27 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 (4 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-20240239754-A1 PHENANTHROIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PAH, HTR3D, CYP3A4 CYP2A6 299/4885CYP1A2 44/4885HTR1B 1203/4885
US-20160289594-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT CNR2, OR51E2, CHRNA2 CYP2A6 2607/4885CYP1A2 2156/4885HTR1B 344/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 CYP2A6 2778/4885CYP1A2 1527/4885HTR1B 1770/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR CYP2A6 2194/4885CYP1A2 2553/4885HTR1B 4496/4885

“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.