SCHEMBL5750258

SCHEMBL5750258

Cc1ccc2cc3ccccc3cc2c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
HSD17B10 Q99714 6/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 3/20 0.57
GAA P10253 3/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HIF1A Q16665 2/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HBB P68871 1/20 0.45
CYP2A6 P11509 3/20 0.43
TSHR P16473 2/20 0.43
CYP1B1 Q16678 1/20 0.43
MAPT P10636 2/20 0.38
HTR2A P28223 1/20 0.38
NQO1 P15559 1/20 0.38

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
SCHEMBL20735452 0.98 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL157730 0.80 TSHR (0.60) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL5749374 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL29407363 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL168352 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL29726949 0.78 CYP1A2 (0.64) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL460085 0.78 CYP1A2 (0.64) ALDH1A1HSD17B10HPGDKDM4EGAA
Hydrochloric Acid SCHEMBL10698586 0.78 TSHR (0.58) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL4928668 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL22776396 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EGAA

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 22 patents — showing the first 20. 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
WO-2019212287-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO 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
EP-3524660-A1 ORGANIC LIGHT-EMITTING DEVICE HAVING LONG LIFE, LOW VOLTAGE AND HIGH EFFICIENCY SFC Co., Ltd. (KR) 2019-08-14 EP disclosed
EP-3266848-B1 ORGANIC LIGHT-EMITTING ELEMENT CAPABLE OF LOW-VOLTAGE DRIVE AND HAVING LONG LIFE SFC CO LTD (KR) 2019-07-31 EP disclosed
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2018-12-06 US disclosed
EP-3269790-A1 ORGANIC LIGHT-EMITTING DIODE WITH HIGH EFFICIENCY SFC Co., Ltd. (KR) 2018-01-17 EP disclosed
CN-104583209-B Nitrogen-containing heterocyclic compound and organic electronic device comprising same 株式会社LG化学 2017-03-22 CN disclosed
CN-106457066-A Chromatographic materials for separating unsaturated molecules 沃特世科技公司 2017-02-22 CN 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
US-4405812-A NICKEL CATALYST ETHYL CORPORATION (US) 1983-09-20 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 (4 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-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 ALDH1A1 1087/4885HSD17B10 1020/4885HPGD 619/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885HSD17B10 1020/4885HPGD 619/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885HSD17B10 1020/4885HPGD 619/4885
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES AHR, NR1H3, ARNT ALDH1A1 722/4885HSD17B10 554/4885HPGD 376/4885

“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.