SCHEMBL21913751

SCHEMBL21913751

CC(C)c1cccc2c1N(c1ccccc1)c1ccccc1O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 9/20 0.46
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
DPP4 P27487 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASR P41180 1/20 0.36
ANPEP P15144 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
P2RX1 P51575 1/20 0.33

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
SCHEMBL21913680 0.84 P2RX4 (0.40) P2RX4FAAHMGLLDPP4NR1H2
SCHEMBL21913678 0.80 FAAH (0.55) P2RX4FAAHMGLLALDH1A1ALOX15
SCHEMBL19844323 0.79 P2RX4 (0.41) P2RX4MGLLALDH1A1
SCHEMBL20308238 0.79 P2RX4 (0.39) P2RX4ALDH1A1P2RX1
SCHEMBL29379993 0.77 P2RX4 (0.47) P2RX4MGLLALDH1A1P2RX1
SCHEMBL1573992 0.77 P2RX4 (0.47) P2RX4MGLLALDH1A1P2RX1
SCHEMBL29406608 0.77 P2RX4 (0.47) P2RX4MGLLALDH1A1P2RX1
SCHEMBL21913753 0.76 FAAH (0.37) FAAHMGLLDPP4NR1H2NR1H3
SCHEMBL17643816 0.76 DPP4 (0.49) P2RX4FAAHMGLLDPP4NR1H2
SCHEMBL17489961 0.76 HSPA1A (0.40) P2RX4ALDH1A1P2RX1

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-11638390-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-04-25 US disclosed
US-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 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 (2 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-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA P2RX4 1164/4885FAAH 2542/4885MGLL 1155/4885
US-11638390-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA P2RX4 1164/4885FAAH 2542/4885MGLL 1155/4885

“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.