SCHEMBL20072258

SCHEMBL20072258

CC(C)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
AR P10275 1/20 0.35
PDE2A O00408 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA1H O95180 6/20 0.34
CACNA1C Q13936 3/20 0.34
EGLN1 Q9GZT9 2/20 0.34
CACNA1B Q00975 2/20 0.34
CACNA1G O43497 1/20 0.33
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KIF11 P52732 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL16405335 0.91 RAPGEF4 (0.35) CES2ARPDE2AHTR2AHTR2C
SCHEMBL21139491 0.89 PDE2A (0.44) PDE2AALDH1A1
SCHEMBL13799252 0.89 PDE2A (0.33) CES2ARPDE2AHTR2AHTR2C
SCHEMBL21139479 0.89 PDE2A (0.41) CES2ARPDE2AHTR2AHTR2C
SCHEMBL20072259 0.84 CES2 (0.34) CES2ARPDE2AHTR2AHTR2C
SCHEMBL18242578 0.84 CES2 (0.38) CES2ARPDE2AHTR2AHTR2C
SCHEMBL4088512 0.82 CES2 (0.39) CES2ARPDE2ACACNA1HCACNA1C
SCHEMBL18242293 0.81 CES2 (0.38) CES2ARPDE2ACACNA1HCACNA1C
SCHEMBL23791246 0.80 RAPGEF4 (0.39) CES2PDE2AHTR2AHTR2CHTR2B
SCHEMBL12552644 0.80 HTR2A (0.37) ARHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230320121-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-22 US disclosed
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-01-20 US disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20210280795-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-09-09 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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 (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-20210280795-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLC18A2, SLC43A1, SLC18A1 CES2 688/4885AR 1781/4885PDE2A 2755/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 CES2 1235/4885AR 3511/4885PDE2A 2936/4885
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 CES2 4002/4885AR 1831/4885PDE2A 2669/4885
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, EPCAM, EML4 CES2 2294/4885AR 3467/4885PDE2A 4829/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 CES2 3921/4885AR 1406/4885PDE2A 2377/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 CES2 3855/4885AR 2309/4885PDE2A 3324/4885
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LEF1 CES2 4373/4885AR 4173/4885PDE2A 4590/4885

“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.