SCHEMBL16194313

SCHEMBL16194313

CNc1cc2c3ccccc3ccc2c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 5/20 0.56
▸ ALDH1A1 P00352 7/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SOS1 Q07889 1/20 0.47
▸ CYP1B1 Q16678 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CYP1A2 P05177 5/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL16194255 0.86 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL16194204 0.86 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL16194439 0.85 ALDH1A1 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL7530253 0.83 HPRT1 (0.61) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL28034067 0.80 TRPM4 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL16194288 0.77 HSD17B10 (0.54) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL16194056 0.77 CYP1A2 (0.48) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL6138950 0.77 HPRT1 (0.66) HPRT1ALDH1A1HSD17B10SOS1CYP1A2
SCHEMBL16194452 0.76 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL16194322 0.76 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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
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 HPRT1 1482/4885ALDH1A1 722/4885HSD17B10 554/4885
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 HPRT1 1700/4885ALDH1A1 1087/4885HSD17B10 1020/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 HPRT1 1700/4885ALDH1A1 1087/4885HSD17B10 1020/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 HPRT1 1700/4885ALDH1A1 1087/4885HSD17B10 1020/4885
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES AHR, NR1H3, ARNT HPRT1 1482/4885ALDH1A1 722/4885HSD17B10 554/4885

“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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