SCHEMBL21766567

SCHEMBL21766567

CC(C)c1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
PTPN5 P54829 3/20 0.35
AKR1C3 P42330 4/20 0.31
AKR1C2 P52895 4/20 0.31
CTSA P10619 4/20 0.31
TACR1 P25103 1/20 0.31
PDE2A O00408 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL24910428 0.92 PTPN5 (0.33) IKBKBPTPN5PSEN1PSEN2APH1B
SCHEMBL24910259 0.87 IKBKB (0.35) IKBKBPTPN5CTSAALDH1A1GAA
SCHEMBL21766566 0.83 RXRA (0.40) IKBKBPTPN5AKR1C3AKR1C2CTSA
SCHEMBL17555046 0.80 IKBKB (0.43) IKBKBAKR1C3AKR1C2SLC1A3SLC1A2
SCHEMBL24910251 0.79 PSEN1 (0.41) IKBKBPTPN5AKR1C3AKR1C2TACR1
SCHEMBL24910092 0.78 PTPN5 (0.41) PTPN5AKR1C3AKR1C2CTSATACR1
SCHEMBL437277 0.78 TACR1 (0.42) AKR1C3AKR1C2TACR1PDE2AALDH1A1
SCHEMBL10629252 0.78 TACR1 (0.39) PTPN5TACR1PDE2AALDH1A1
SCHEMBL24910184 0.77 PSEN1 (0.41) PTPN5AKR1C3AKR1C2TACR1PSEN1
SCHEMBL24254714 0.77 RXRA (0.41) IKBKBAKR1C3AKR1C2SLC1A3SLC1A2

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 11 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-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-22 US 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-20210280795-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-09-09 US disclosed
US-20210167298-A1 ORGANIC ELECTROLUMINESCENCE DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-06-03 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 (9 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 IKBKB 4602/4885PTPN5 4721/4885AKR1C3 4479/4885
US-20210296594-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO2B1, SLCO2A1, SLCO4C1 IKBKB 3800/4885PTPN5 4863/4885AKR1C3 4442/4885
US-20210280795-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLC18A2, SLC43A1, SLC18A1 IKBKB 4639/4885PTPN5 4832/4885AKR1C3 2541/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 IKBKB 4199/4885PTPN5 4010/4885AKR1C3 4721/4885
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, EPCAM, EML4 IKBKB 4696/4885PTPN5 4413/4885AKR1C3 4752/4885
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LEF1, PIEZO1, L1CAM IKBKB 4756/4885PTPN5 4009/4885AKR1C3 4347/4885
US-20200062778-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, SLCO4C1 IKBKB 4602/4885PTPN5 4721/4885AKR1C3 4479/4885
US-20230026428-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, SLCO4C1 IKBKB 4602/4885PTPN5 4721/4885AKR1C3 4479/4885
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LEF1 IKBKB 4133/4885PTPN5 3920/4885AKR1C3 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.