SCHEMBL777635

SCHEMBL777635

CCC(C)(C)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KCNN4 O15554 4/20 0.44
ACHE P22303 1/20 0.41
KIF11 P52732 1/20 0.41
RIPK1 Q13546 1/20 0.41
CHRM3 P20309 1/20 0.40
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
CYP19A1 P11511 1/20 0.37
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL779789 0.84 MAPK1 (0.52) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL19779051 0.84 KCNN4 (0.42) KCNN4ACHEKIF11RIPK1CHRM3
SCHEMBL14395956 0.83 KCNN4 (0.44) KCNN4ACHEKIF11RIPK1CHRM3
Water SCHEMBL27961448 0.82 MAPK1 (0.50) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL1522028 0.82 KCNN4 (0.47) KCNN4ACHEKIF11RIPK1CHRM3
SCHEMBL2260664 0.82 TAAR1 (0.57) KCNN4ACHEKIF11TAAR1
Ammonia Solution, Strong SCHEMBL6000557 0.81 KCNN4 (0.46) KCNN4ACHEKIF11RIPK1CHRM3
SCHEMBL14388881 0.80 RIPK1 (0.42) KCNN4ACHEKIF11RIPK1CHRM3
SCHEMBL21992135 0.80 KIF11 (0.46) NPC1RAB9AKCNN4ACHEKIF11
SCHEMBL30472160 0.80 KCNN4 (0.46) KCNN4ACHEKIF11RIPK1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-11091487-B2 Meropenem derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-08-17 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9312127-B2 Method for producing semiconductor apparatus substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20160064220-A1 METHOD FOR PRODUCING SEMICONDUCTOR APPARATUS SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-03 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 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 (7 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-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C NPC1 1750/4885RAB9A 1820/4885LMNA 3544/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C NPC1 1750/4885RAB9A 1820/4885LMNA 3544/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 NPC1 399/4885RAB9A 2426/4885LMNA 2685/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C NPC1 1750/4885RAB9A 1820/4885LMNA 3544/4885
US-11091487-B2 Meropenem derivatives and uses thereof SLCO1B1, SLCO2B1, ABCB11 NPC1 90/4885RAB9A 585/4885LMNA 1092/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB NPC1 3237/4885RAB9A 1648/4885LMNA 2749/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF NPC1 864/4885RAB9A 2255/4885LMNA 2656/4885

“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.