SCHEMBL16194439

SCHEMBL16194439

CNc1cc2ccccc2c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ CYP1A2 P05177 5/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ IDO1 P14902 2/20 0.47
▸ PPM1A P35813 1/20 0.47
▸ TRPM4 Q8TD43 1/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ HPRT1 P00492 4/20 0.44
▸ CYP2A6 P11509 2/20 0.42
▸ TSHR P16473 2/20 0.42

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
SCHEMBL16194313 0.85 HPRT1 (0.56) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL16760997 0.81 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4433796 0.78 CYP2A6 (0.57) ALDH1A1CYP1A2KDM4EMEN1KMT2A
SCHEMBL27937848 0.78 CYP1A2 (0.41) ALDH1A1CYP1A2KDM4EMEN1CYP3A4
SCHEMBL16194255 0.78 HPRT1 (0.58) ALDH1A1CYP1A2KDM4ECYP3A4IDO1
SCHEMBL16194204 0.78 HPRT1 (0.58) ALDH1A1CYP1A2KDM4ECYP3A4IDO1
SCHEMBL16194056 0.78 CYP1A2 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL10829034 0.78 TDP1 (0.44) ALDH1A1CYP1A2KDM4EALOX12IDO1
SCHEMBL6626220 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL19422040 0.77 NQO2 (0.55) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E

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 15 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-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-19 — — US disclosed
US-20230312604-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-05 — — US 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
WO-2017192664-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2017-11-09 — — WO 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 (7 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 ALDH1A1 722/4885CYP1A2 669/4885CYP2D6 1060/4885
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 ALDH1A1 1087/4885CYP1A2 719/4885CYP2D6 1278/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885CYP1A2 719/4885CYP2D6 1278/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885CYP1A2 719/4885CYP2D6 1278/4885
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES AHR, NR1H3, ARNT ALDH1A1 722/4885CYP1A2 669/4885CYP2D6 1060/4885
US-20230312604-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC DEVICE ODC1, LEF1, PIEZO1 ALDH1A1 137/4885CYP1A2 142/4885CYP2D6 286/4885
US-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF NUDC, SLC29A2, SLC6A19 ALDH1A1 3779/4885CYP1A2 3917/4885CYP2D6 3521/4885

“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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