SCHEMBL442070

SCHEMBL442070

COc1cc(OC)c(CN)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
TAAR1 Q96RJ0 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP3A4 P08684 2/20 0.43
ADRA1A P35348 2/20 0.42
ERN1 O75460 1/20 0.42
ADRA2A P08913 1/20 0.40
PTPN1 P18031 1/20 0.40
APLNR P35414 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
Hydrochloric Acid SCHEMBL1093815 0.98 CYP1A2 (0.48) CYP1A2TAAR1ALDH1A1CA12CA1
SCHEMBL13828731 0.87 CYP1A2 (0.44) CYP1A2TAAR1ALDH1A1CA12CA1
SCHEMBL8200192 0.85 CYP1A2 (0.38) CYP1A2TAAR1ALDH1A1CA12CA1
SCHEMBL28756671 0.84 PTPN1 (0.44) CYP1A2ALDH1A1CA12CA1CA2
SCHEMBL19489563 0.82 ADRA2A (0.44) CYP1A2TAAR1ADRA1AADRA2A
SCHEMBL1049672 0.82 TAAR1 (0.64) CYP1A2TAAR1CYP3A4ADRA1A
SCHEMBL16437141 0.81 CYP1A2 (0.36) CYP1A2TAAR1ALDH1A1CA12CA1
SCHEMBL23861312 0.81 GAA (0.47) TAAR1ALDH1A1CYP3A4
SCHEMBL12776535 0.81 ACHE (0.52) TAAR1ALDH1A1CYP3A4ERN1
SCHEMBL2096172 0.80 ALDH1A1 (0.50) CYP1A2ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3294741-B1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISO PROPYLPYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-05-01 EP claimed
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP claimed
EP-0292228-A2 Protecting groups for asparagine and glutamine in peptide synthesis MILLIPORE CORPORATION (US) 1988-11-23 EP claimed
CN-122029166-A Condensed cyclic compound and harmful arthropod control composition containing the same 住友化学株式会社 2026-05-12 CN disclosed
WO-2025079634-A1 CONDENSED RING COMPOUND, AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME 住友化学株式会社 2025-04-17 WO disclosed
US-20250084012-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-03-13 US disclosed
WO-2025052388-A1 PSYCHEDELIC COMPOUNDS, METHODS OF THEIR PREPARATION AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2025-03-13 WO disclosed
EP-4461715-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUPS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-11-13 EP disclosed
CN-118510741-A Method for removing t-butoxycarbonyl group 中外制药株式会社 2024-08-16 CN disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP disclosed
EP-0342649-B1 Improved process for the preparation of 5-amino-7-(substituted amino)-quinoline-3-carboxylic acids WARNER LAMBERT CO (US) 1994-11-30 EP disclosed
US-4935536-A TRIALKOXYBENZYL PROTECTED AMINO ACID MILLIPORE CORPORATION (US) 1990-06-19 US disclosed
EP-0342649-A2 Improved process for the preparation of 5-amino-7-(substituted amino)-quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1989-11-23 EP disclosed
EP-0292228-A2 Protecting groups for asparagine and glutamine in peptide synthesis MILLIPORE CORPORATION (US) 1988-11-23 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 (1 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-20250084012-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUP TERT, MGMT, MITF CYP1A2 4642/4885TAAR1 2787/4885ALDH1A1 4246/4885

“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.