SCHEMBL5748743

SCHEMBL5748743

Cc1ccc2cc3c(N)cccc3cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.52
CYP2A6 P11509 5/20 0.52
CYP1A2 P05177 6/20 0.50
ALDH1A1 P00352 10/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 4/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43
PRSS1 P07477 1/20 0.43
CYP3A4 P08684 4/20 0.42
TSHR P16473 2/20 0.42
KEAP1 Q14145 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 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
SCHEMBL5751285 1.00 TDP1 (0.52) TDP1CYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL4088386 0.84 CYP1A2 (0.63) TDP1CYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL5008737 0.84 ALDH1A1 (0.54) TDP1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL31484753 0.84 CYP2A6 (0.63) TDP1CYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL4074829 0.84 CYP2A6 (0.63) TDP1CYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL5012440 0.84 ALDH1A1 (0.54) TDP1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL31484741 0.84 CYP1A2 (0.63) TDP1CYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL4924420 0.84 ALDH1A1 (0.58) TDP1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL5008832 0.84 ALDH1A1 (0.58) TDP1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL22497391 0.84 ALDH1A1 (0.58) TDP1CYP1A2ALDH1A1HPGDHSD17B10

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
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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 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 (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 TDP1 4676/4885CYP2A6 460/4885CYP1A2 669/4885
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 TDP1 4724/4885CYP2A6 539/4885CYP1A2 719/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 TDP1 4724/4885CYP2A6 539/4885CYP1A2 719/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 TDP1 4724/4885CYP2A6 539/4885CYP1A2 719/4885
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES AHR, NR1H3, ARNT TDP1 4676/4885CYP2A6 460/4885CYP1A2 669/4885

“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.