SCHEMBL16194432

SCHEMBL16194432

CNc1cccc2cc(C)ccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.59
▸ CYP2A6 P11509 5/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ACHE P22303 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
SCHEMBL16194473 0.85 CYP2A6 (0.48) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL16194486 0.85 CYP2A6 (0.48) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL16194362 0.84 CYP2A6 (0.59) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL11831596 0.82 CYP1A2 (0.57) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL12748798 0.79 CYP1A2 (0.53) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL27937834 0.78 CYP1A2 (0.43) CYP1A2CYP2A6TDP1KMT2AMEN1
SCHEMBL27937958 0.78 TLR8 (0.45) CYP1A2KMT2AMEN1GAACASP6
SCHEMBL27937821 0.78 FADS1 (0.46) CYP2A6ALDH1A1KDM4ELMNAGAA
SCHEMBL27937859 0.78 CASP6 (0.40) CYP1A2TDP1KMT2AMEN1ALDH1A1
SCHEMBL27769260 0.78 PLAU (0.53) CYP1A2TDP1KMT2AMEN1ALDH1A1

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 13 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-2022267801-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2022-12-29 — — 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-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.

Send feedback