SCHEMBL21766570

SCHEMBL21766570

CC(C)c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
AKR1C3 P42330 13/20 0.39
AKR1C2 P52895 13/20 0.39
CES2 O00748 1/20 0.37
TRPV3 Q8NET8 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN9A Q15858 1/20 0.36
CTSA P10619 1/20 0.35

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
SCHEMBL24754923 0.88 CES2 (0.37) AKR1C3AKR1C2CES2PSEN1PSEN2
SCHEMBL24910315 0.84 AR (0.41) AKR1C3AKR1C2SCN9ACTSA
SCHEMBL24017166 0.83 CES2 (0.46) ALOX5APFEN1AKR1C3AKR1C2CES2
SCHEMBL26375459 0.79 AKR1C3 (0.45) ALOX5APFEN1AKR1C3AKR1C2CES2
SCHEMBL24910321 0.78 PSEN1 (0.50) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL24910317 0.78 AKR1C3 (0.54) ALOX5APFEN1AKR1C3AKR1C2PSEN1
SCHEMBL21766566 0.77 RXRA (0.40) AKR1C3AKR1C2CES2PSEN1PSEN2
SCHEMBL10026559 0.77 CA1 (0.47) ALOX5APFEN1AKR1C3AKR1C2CES2
SCHEMBL24910236 0.77 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL24910092 0.76 PTPN5 (0.41) AKR1C3AKR1C2CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230026428-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-26 US disclosed
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
US-11466026-B2 Organic electroluminescent materials and devices Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-10-11 US disclosed
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-05-05 US disclosed
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-01-20 US disclosed
US-20210296594-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-09-23 US disclosed
US-20200062778-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2020-02-27 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-11466026-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, SLCO4C1 ALOX5AP 1242/4885FEN1 2901/4885AKR1C3 4479/4885
US-20210296594-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO2B1, SLCO2A1, SLCO4C1 ALOX5AP 827/4885FEN1 4672/4885AKR1C3 4442/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 ALOX5AP 1122/4885FEN1 4162/4885AKR1C3 4721/4885
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LEF1, PIEZO1, L1CAM ALOX5AP 427/4885FEN1 974/4885AKR1C3 4347/4885
US-20200062778-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, SLCO4C1 ALOX5AP 1242/4885FEN1 2901/4885AKR1C3 4479/4885
US-20230026428-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, SLCO4C1 ALOX5AP 1242/4885FEN1 2901/4885AKR1C3 4479/4885
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LEF1 ALOX5AP 1279/4885FEN1 1184/4885AKR1C3 3561/4885

“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.