SCHEMBL19218310

SCHEMBL19218310

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL19537654 1.00 PDK2 (0.36) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL21559401 0.99 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19218319 0.95 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19218314 0.95 PDK2 (0.35) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19537655 0.94 PDK2 (0.39) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL21969227 0.94 PDK2 (0.39) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL20466614 0.94 PDK2 (0.39) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL21559402 0.93 KDM4E (0.33) PDK2ESR1ESR2
SCHEMBL21392427 0.93 PDK2 (0.34) PDK2
SCHEMBL19218684 0.93 PDK2 (0.34) PDK2

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-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-11069858-B2 Amine-based compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2021-07-20 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 US disclosed
US-20190198763-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-06-27 US disclosed
US-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound IDEMITSU KOSAN CO., LTD. (JP) 2019-03-26 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 PDK2 3759/4885MLNR 2913/4885NR1I2 436/4885
US-20190198763-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 PDK2 2479/4885MLNR 4318/4885NR1I2 793/4885
US-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound H1-10, H1-0, H1-4 PDK2 2391/4885MLNR 3442/4885NR1I2 1750/4885
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 PDK2 2204/4885MLNR 4722/4885NR1I2 1619/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 PDK2 3759/4885MLNR 2913/4885NR1I2 436/4885
US-11069858-B2 Amine-based compound and organic light emitting device comprising same CYP1A1, CYP1B1, CRY1 PDK2 2479/4885MLNR 4318/4885NR1I2 793/4885

“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.