SCHEMBL21913680

SCHEMBL21913680

CC(C)c1cccc2c1Oc1ccccc1N2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.40
FAAH O00519 2/20 0.39
MGLL Q99685 1/20 0.39
CASR P41180 1/20 0.34
P2RX1 P51575 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 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
SCHEMBL21913751 0.84 P2RX4 (0.46) P2RX4FAAHMGLLCASRP2RX1
SCHEMBL21415178 0.81 P2RX4 (0.37) P2RX4P2RX1HPGDALDH1A1
SCHEMBL19844326 0.81 P2RX4 (0.37) P2RX4MGLLP2RX1MAPTALDH1A1
SCHEMBL17489963 0.78 HSPA1A (0.39) P2RX4P2RX1HPGDMAPTALDH1A1
SCHEMBL1573992 0.77 P2RX4 (0.47) P2RX4MGLLP2RX1HPGDALDH1A1
SCHEMBL29406608 0.77 P2RX4 (0.47) P2RX4MGLLP2RX1HPGDALDH1A1
SCHEMBL29379993 0.77 P2RX4 (0.47) P2RX4MGLLP2RX1HPGDALDH1A1
SCHEMBL24422387 0.77 P2RX4 (0.34) P2RX4P2RX1CA2TSHRMAPT
SCHEMBL28408997 0.77 P2RX4 (0.37) P2RX4P2RX1MAPTALDH1A1
SCHEMBL20908284 0.76 FAAH (0.31) FAAHMGLL

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.