SCHEMBL13097697

SCHEMBL13097697

CC(C)c1ccc(C#N)c(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.40
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PDE2A O00408 1/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
NOS2 P35228 2/20 0.36
IDH1 O75874 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BCAT2 O15382 1/20 0.35
BCAT1 P54687 1/20 0.35
ACACB O00763 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
SCHEMBL23791164 0.90 AR (0.40) ARSLC22A12HRH4PDE2AALDH1A1
SCHEMBL16954184 0.88 AR (0.37) ARKCNJ1KCNH2SLC22A12HRH4
SCHEMBL16868772 0.83 RORC (0.46)
SCHEMBL18119750 0.80 AR (0.40) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL22184963 0.80 AR (0.46) ARPDE2AALDH1A1ACACB
SCHEMBL14549026 0.80 AR (0.58) ARALDH1A1
SCHEMBL13523271 0.79 PDE2A (0.45) PDE2AALDH1A1
SCHEMBL16959026 0.78 PDE2A (0.38) ARSLC22A12HRH4PDE2ACYP2D6
SCHEMBL7133698 0.78 PDE2A (0.40) ARSLC22A12HRH4PDE2AALDH1A1
SCHEMBL25027661 0.78 CYP11B1 (0.42) ARACACB

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-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 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-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMAPANY (US) 2010-10-07 US disclosed
US-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMAPANY (US) 2010-10-07 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 (6 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-20210296594-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO2B1, SLCO2A1, SLCO4C1 AR 3114/4885KCNJ1 161/4885KCNH2 290/4885
US-20210280795-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLC18A2, SLC43A1, SLC18A1 AR 1781/4885KCNJ1 416/4885KCNH2 53/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 AR 3511/4885KCNJ1 35/4885KCNH2 33/4885
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LEF1, PIEZO1, L1CAM AR 3344/4885KCNJ1 358/4885KCNH2 41/4885
US-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA AR 2/4885KCNJ1 4540/4885KCNH2 4537/4885
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LEF1 AR 4173/4885KCNJ1 240/4885KCNH2 569/4885

“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.