SCHEMBL19829571

SCHEMBL19829571

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.37
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ MLNR O43193 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ADRA1A P35348 1/20 0.31

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
SCHEMBL13903642 0.97 RXRA (0.38) PDK2RXRARXRBMLNRNR1I2
SCHEMBL13725311 0.96 RXRA (0.37) PDK2RXRARXRB
SCHEMBL15081588 0.95 RXRA (0.36) PDK2RXRARXRB
SCHEMBL13374522 0.95 RXRA (0.36) PDK2RXRARXRB
SCHEMBL15081567 0.95 RXRA (0.36) PDK2RXRARXRB
SCHEMBL13374410 0.95 RXRA (0.36) PDK2RXRARXRB
SCHEMBL17811610 0.95 RXRA (0.38) PDK2RXRARXRBMLNRNR1I2
SCHEMBL23134138 0.93 PDK2 (0.33) PDK2RXRARXRB
SCHEMBL13724948 0.92 PDK2 (0.34) PDK2RXRARXRB
SCHEMBL15081532 0.92 RXRA (0.38) PDK2RXRARXRBMLNRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180033965-A1 NOVEL DIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2018-02-01 — — US disclosed
US-20180033965-A1 NOVEL DIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2018-02-01 — — 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 (1 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-20180033965-A1 NOVEL DIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OR10J3, AOC1, SAT1 PDK2 2073/4885RXRA 3135/4885RXRB 3111/4885

“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.

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