Sugi Predict

Sugi Predict / Compounds / SCHEMBL19163545

SCHEMBL19163545

SCHEMBL19163545

CN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.44
▸ MLNR O43193 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ OPRM1 P35372 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
SCHEMBL15213978 0.97 PDK2 (0.46) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19849790 0.95 PDK2 (0.46) PDK2PGR
SCHEMBL19866437 0.93 PDK2 (0.43) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL20091292 0.93 PDK2 (0.44) PDK2PGR
SCHEMBL19844099 0.92 PDK2 (0.42) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL22744879 0.91 PDK2 (0.40) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19742385 0.90 PDK2 (0.44) PDK2PGR
SCHEMBL22807874 0.89 PDK2 (0.44) PDK2PGR
SCHEMBL24904748 0.89 PDK2 (0.38) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19627431 0.89 PDK2 (0.55) PDK2MLNRNR1I2CHRM2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213971-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — US disclosed
US-20170213972-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — US disclosed
US-20170213971-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — US disclosed
US-20170213970-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — 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 (3 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-20170213972-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 PDK2 2764/4885MLNR 4502/4885NR1I2 325/4885
US-20170213970-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 PDK2 2806/4885MLNR 4478/4885NR1I2 259/4885
US-20170213971-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 PDK2 2806/4885MLNR 4478/4885NR1I2 259/4885

“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.