SCHEMBL18471306

SCHEMBL18471306

CC(C)(C)c1ccc(CC(C)(C)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
APP P05067 1/20 0.38
EPHX2 P34913 3/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL24871287 0.83 KCNH2 (0.44) TSHRESR1ESR2KCNH2TP53
SCHEMBL13319903 0.82 TSHR (0.44) TSHRESR1ESR2KCNH2TP53
SCHEMBL25587208 0.82 TSHR (0.44) TSHRESR1ESR2KCNH2TP53
SCHEMBL18482012 0.80 IDO1 (0.41) TSHRESR1BCHEACHEMAPT
SCHEMBL31058637 0.80 ALDH1A1 (0.44) TSHRESR1ALDH1A1MAPT
SCHEMBL18471310 0.79 MITF (0.38) TSHRKCNH2TP53BCHEACHE
SCHEMBL22477583 0.77 KIF11 (0.47) TSHRESR1ESR2KCNH2TP53
SCHEMBL23512925 0.77 ESR1 (0.48) TSHRESR1ESR2KCNH2TP53
SCHEMBL19454941 0.77 ESR1 (0.58) TSHRESR1ESR2KCNH2TP53
SCHEMBL24700086 0.76 ACHE (0.42) BCHEACHELMNAMAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234524-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-30 EP disclosed
EP-4219436-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-02 EP disclosed
US-11018309-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-05-25 US disclosed
US-20170040552-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-02-09 US disclosed
US-20170040552-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-02-09 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 (2 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-20170040552-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP TSHR 3971/4885ESR1 190/4885ESR2 387/4885
US-11018309-B2 Organic electroluminescent materials and devices LEF1, OCIAD1, OCIAD2 TSHR 1282/4885ESR1 145/4885ESR2 50/4885

“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.