SCHEMBL22848280

SCHEMBL22848280

CC1(C)OB(c2c(N)cccc2Cl)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.39
NR4A2 P43354 1/20 0.38
LPL P06858 7/20 0.37
LIPG Q9Y5X9 7/20 0.37
JAK2 O60674 1/20 0.36
BTK Q06187 1/20 0.36
CYP3A4 P08684 1/20 0.35
PIK3CA P42336 1/20 0.35
CD44 P16070 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL31636019 0.87 LPL (0.42) LPLLIPGJAK2BTKCA1
SCHEMBL29897387 0.80 LPL (0.38) ALDH1A1LPLLIPGJAK2BTK
SCHEMBL20722870 0.80 LPL (0.38) ALDH1A1LPLLIPGJAK2BTK
SCHEMBL5840223 0.80 CD44 (0.47) ALDH1A1TSHRLPLLIPGCYP3A4
SCHEMBL23301083 0.79 LPL (0.40) LPLLIPGJAK2BTKTAAR1
SCHEMBL20788915 0.79 LPL (0.40) TSHRLPLLIPGJAK2BTK
SCHEMBL31125044 0.79 TSHR (0.41) ALDH1A1TSHRLPLLIPGJAK2
SCHEMBL18797560 0.79 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL29897368 0.79 LPL (0.40) LPLLIPGJAK2BTKTAAR1
SCHEMBL29459939 0.79 LPL (0.40) TSHRLPLLIPGJAK2BTK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845748-B2 Bicyclic pyridine N-oxide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-12-19 US disclosed
US-20230051889-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-16 US disclosed
US-20230051889-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-16 US disclosed
EP-4112601-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2023-01-04 EP disclosed
EP-4112601-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2023-01-04 EP disclosed
US-20220306632-A1 BICYCLIC PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-09-29 US disclosed
US-20220213120-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-07-07 US disclosed
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-05-19 US disclosed
EP-3990448-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C Guangdong Newopp Biopharmaceuticals Co., Ltd. (CN) 2022-05-04 EP disclosed
WO-2021034118-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-02-25 WO disclosed
WO-2020259513-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-12-30 WO 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-20220213120-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 9/4885TSHR 4037/4885NR4A2 845/4885
US-20230051889-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, COG1, CRY2 ALDH1A1 1585/4885TSHR 4145/4885NR4A2 1499/4885
US-20220306632-A1 BICYCLIC PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F2, F11, KLKB1 ALDH1A1 3910/4885TSHR 4110/4885NR4A2 2600/4885
US-11845748-B2 Bicyclic pyridine N-oxide derivatives useful as a factor XIa inhibitors F2, F11, KLKB1 ALDH1A1 3910/4885TSHR 4110/4885NR4A2 2600/4885
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2729/4885TSHR 4531/4885NR4A2 2826/4885

“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.