SCHEMBL5750656

SCHEMBL5750656

Cc1c2ccccc2cc2c(N)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HSD17B10 Q99714 6/20 0.56
HPGD P15428 5/20 0.56
TSHR P16473 5/20 0.56
CYP3A4 P08684 4/20 0.56
KEAP1 Q14145 1/20 0.56
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
PTBP1 P26599 1/20 0.48
RCE1 Q9Y256 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
PARP1 P09874 4/20 0.44
PIK3CA P42336 1/20 0.44
HIF1A Q16665 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
SCHEMBL16107560 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL11615489 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29383673 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL1154506 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29351158 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL5545202 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL119090 0.78 CYP1A2 (0.56) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29360084 0.78 CYP1A2 (0.56) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL4927955 0.77 TSHR (0.46) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL31298085 0.76 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDTSHRCYP3A4

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
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2020-08-18 US 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 ALDH1A1 722/4885HSD17B10 554/4885HPGD 376/4885
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.