SCHEMBL9755

SCHEMBL9755

CC1(C)OB(c2ccccc2C(F)(F)F)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.43
LIPG Q9Y5X9 6/20 0.43
LIPE Q05469 7/20 0.39
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29382961 1.00 LPL (0.43) LPLLIPGLIPEF2F11
SCHEMBL17334100 0.87 LPL (0.42) LPLLIPGLIPEF2F11
SCHEMBL17315234 0.84 JAK2 (0.41) LPLLIPGLIPEF2F11
SCHEMBL31440036 0.84 LPL (0.39) LPLLIPGLIPEF2F11
SCHEMBL4879042 0.84 LPL (0.39) LPLLIPGLIPEF2F11
SCHEMBL13601624 0.84 LPL (0.37) LPLLIPGLIPEF2F11
SCHEMBL17023771 0.82 LPL (0.44) LPLLIPGLIPETDP1ALDH1A1
SCHEMBL23043322 0.81 LPL (0.36) LPLLIPGLIPEF2F11
SCHEMBL29418644 0.81 LPL (0.36) LPLLIPGLIPEF2F11
SCHEMBL5899734 0.81 LPL (0.54) LPLLIPG

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467588-A A kind of catalytic component for vinyl polymerization, its preparation method and application 中国石油化工股份有限公司 2017-03-01 CN claimed
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC (CA) 2025-06-05 US disclosed
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors REPARE THERAPEUTICS INC. (CA) 2025-04-01 US disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
WO-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 WO disclosed
WO-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 WO disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
US-8232409-B2 Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 US disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed
EP-2349256-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS Janssen Pharmaceutica NV (BE) 2011-08-03 EP disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2010045166-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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 (8 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-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS TRPM8, TRPV1, TRPM6 LPL 4247/4885LIPG 4174/4885LIPE 4160/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 LPL 4807/4885LIPG 4521/4885LIPE 4865/4885
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 LPL 1878/4885LIPG 956/4885LIPE 3384/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPL 126/4885LIPG 105/4885LIPE 330/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 LPL 4001/4885LIPG 3364/4885LIPE 4795/4885
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 LPL 3676/4885LIPG 2639/4885LIPE 4247/4885
US-20240067662-A1 KRAS INHIBITORS KRAS, NRAS, HRAS LPL 3812/4885LIPG 2732/4885LIPE 4331/4885
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors ATR, CHEK2, CHEK1 LPL 1878/4885LIPG 956/4885LIPE 3384/4885

“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.