SCHEMBL16194436

SCHEMBL16194436

CNc1cc(C)cc2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2A6 P11509 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 2/20 0.38
▸ NQO1 P15559 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ USP2 O75604 2/20 0.32
▸ HPGD P15428 2/20 0.32

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
SCHEMBL4433796 0.84 CYP2A6 (0.57) CYP1A2CYP2A6TDP1MAPTKDM4E
SCHEMBL577961 0.78 ALDH1A1 (0.55) CYP1A2TDP1MAPTKDM4EALDH1A1
SCHEMBL16194473 0.77 CYP2A6 (0.48) CYP1A2CYP2A6TDP1MAPTKDM4E
SCHEMBL16194486 0.77 CYP2A6 (0.48) CYP1A2CYP2A6TDP1MAPTKDM4E
SCHEMBL598685 0.75 CYP1A2 (0.68) CYP1A2CYP2A6TDP1MAPTALDH1A1
SCHEMBL28691104 0.74 IDO1 (0.50) CYP1A2CYP2A6TDP1MAPTKDM4E
SCHEMBL27996595 0.74 CYP1A2 (0.65) CYP1A2CYP2A6TDP1MAPTALDH1A1
SCHEMBL23808606 0.72 CYP1A2 (0.47) CYP1A2CYP2A6TDP1MAPTKDM4E
SCHEMBL20664853 0.72 CYP1A2 (0.47) CYP1A2CYP2A6TDP1KDM4EALDH1A1
SCHEMBL5749569 0.72 CYP1A2 (0.47) CYP1A2CYP2A6TDP1MAPTKDM4E

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 12 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
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-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 CYP1A2 669/4885CYP2A6 460/4885TDP1 4676/4885
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 CYP1A2 719/4885CYP2A6 539/4885TDP1 4724/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CYP1A2 719/4885CYP2A6 539/4885TDP1 4724/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CYP1A2 719/4885CYP2A6 539/4885TDP1 4724/4885
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES AHR, NR1H3, ARNT CYP1A2 669/4885CYP2A6 460/4885TDP1 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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