SCHEMBL4549523

SCHEMBL4549523

Cc1ccc(OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
BCHE P06276 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TEAD4 Q15561 1/20 0.38
GPR3 P46089 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
CA2 P00918 2/20 0.36
AR P10275 1/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
RELA Q04206 1/20 0.35
MLYCD O95822 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL10524397 0.86 ACHE (0.41) ACHEBCHETDP1CYP3A4TSHR
SCHEMBL10177249 0.85 ACHE (0.39) ACHEBCHETDP1CYP3A4TSHR
SCHEMBL12200950 0.84 ACHE (0.42) ACHEBCHETDP1CYP3A4TSHR
SCHEMBL24871286 0.81 ACHE (0.44) ACHEBCHETDP1CYP3A4TSHR
SCHEMBL91415 0.80 GPR3 (0.53) ACHEBCHETDP1TSHRGPR3
SCHEMBL10709647 0.80 MAPT (0.47) TDP1CYP3A4TSHRGPR3ALDH1A1
SCHEMBL13802538 0.78 ACHE (0.34) ACHEBCHECYP3A4TSHRTEAD4
SCHEMBL10242545 0.78 ACHE (0.46) ACHEBCHETDP1CYP3A4TSHR
SCHEMBL9325496 0.78 ACHE (0.46) ACHEBCHETDP1CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL2444176 0.78 GPR3 (0.52) ACHEBCHETSHRGPR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (3 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP ACHE 2/4885BCHE 19/4885TDP1 2678/4885
US-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 ACHE 2207/4885BCHE 2036/4885TDP1 3423/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 ACHE 1667/4885BCHE 2865/4885TDP1 3886/4885

“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.