SCHEMBL16194362

SCHEMBL16194362

CNc1cccc2ccc(C)cc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.59
▸ CYP1A2 P05177 4/20 0.59
▸ TDP1 Q9NUW8 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAOA P21397 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL16194486 0.85 CYP2A6 (0.48) CYP2A6CYP1A2TDP1TRPV1KMT2A
SCHEMBL16194473 0.85 CYP2A6 (0.48) CYP2A6CYP1A2TDP1TRPV1KMT2A
SCHEMBL16194432 0.84 CYP1A2 (0.59) CYP2A6CYP1A2TDP1KMT2AMEN1
SCHEMBL27919313 0.78 KEAP1 (0.38) CYP2A6CYP1A2TDP1TRPV1KMT2A
SCHEMBL27919217 0.78 FADS1 (0.46) CYP2A6TRPV1KMT2AMEN1RAB9A
SCHEMBL27919123 0.78 CYP1A2 (0.43) CYP2A6CYP1A2TRPV1KMT2AMEN1
SCHEMBL6583801 0.78 TRPV1 (0.54) TRPV1KMT2AMEN1RAB9A
SCHEMBL9906994 0.78 HPGD (0.65) CYP2A6CYP1A2TDP1TRPV1KMT2A
SCHEMBL13705839 0.78 CYP1A2 (0.41) CYP2A6CYP1A2TDP1KMT2AMEN1
SCHEMBL13963545 0.77 ALDH1A1 (0.57) CYP2A6CYP1A2TRPV1KMT2AMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2024-09-10 — — US disclosed
CN-111644164-B Chromatographic material for separating unsaturated molecules 沃特世科技公司 2024-03-08 — — CN disclosed
WO-2023120277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, THIN FILM, COMPOUND, DELAYED FLUORESCENCE-EMITTING BODY, AND ORGANIC SEMICONDUCTOR LASER 三井化学株式会社 2023-06-29 — — WO disclosed
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2021-01-28 — — US disclosed
CN-111644164-A Chromatographic materials for separating unsaturated molecules 沃特世科技公司 2020-09-11 — — CN disclosed
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2020-08-18 — — US disclosed
CN-106457066-B Chromatographic materials for separating unsaturated molecules 沃特世科技公司 2020-08-14 — — CN disclosed
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2018-12-06 — — US disclosed
US-10092894-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2018-10-09 — — US disclosed
EP-3214070-A1 FLUORINE-BASED COMPOUND FOR BRANCHER, POLYMER USING SAME, AND POLYMER ELECTROLYTE MEMBRANE USING SAME LG Chem, Ltd. (KR) 2017-09-06 — — EP disclosed
EP-3113857-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES Waters Technologies Corporation (US) 2017-01-11 — — EP disclosed
WO-2015134317-A9 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2016-08-04 — — WO disclosed
WO-2015134317-A1 CHROMOTOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2015-09-11 — — WO disclosed
US-20140319057-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2014-10-30 — — 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 (5 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-10092894-B2 Chromatographic materials for the separation of unsaturated molecules AHR, NR1H3, ARNT CYP2A6 460/4885CYP1A2 669/4885TDP1 4676/4885
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 CYP2A6 539/4885CYP1A2 719/4885TDP1 4724/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CYP2A6 539/4885CYP1A2 719/4885TDP1 4724/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CYP2A6 539/4885CYP1A2 719/4885TDP1 4724/4885
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES AHR, NR1H3, ARNT CYP2A6 460/4885CYP1A2 669/4885TDP1 4676/4885

“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.

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