SCHEMBL20935948

SCHEMBL20935948

CC(C)c1cccc2c1Sc1ccccc1N2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
HTR1A P08908 4/20 0.38
DRD3 P35462 4/20 0.38
PTGS1 P23219 3/20 0.38
CYP2D6 P10635 3/20 0.38
CHRM2 P08172 3/20 0.38
ADRA2A P08913 3/20 0.38
CHRM1 P11229 3/20 0.38
DRD1 P21728 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ADRA1A P35348 3/20 0.38
OPRM1 P35372 3/20 0.38
KCNH2 Q12809 3/20 0.38
CYP1A2 P05177 3/20 0.38
LMNA P02545 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38

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
SCHEMBL21914429 0.82 BCHE (0.45) HDAC6FAAHMGLLHTR1ADRD3
SCHEMBL7070321 0.80 HDAC6 (0.41) HDAC6MGLLHTR1ADRD3PTGS1
SCHEMBL22250981 0.76 HDAC6 (0.41) HDAC6MGLLADRA2ALMNAALDH1A1
SCHEMBL29387100 0.76 HDAC6 (0.56) HDAC6PTGS1LMNAKMT2AMAOA
SCHEMBL342426 0.76 HDAC6 (0.56) HDAC6PTGS1LMNAKMT2AMAOA
SCHEMBL16940888 0.76 BCHE (0.41) HDAC6HTR1ADRD3PTGS1CYP2D6
SCHEMBL16945823 0.76 HDAC6 (0.41) HDAC6MGLLLMNAALDH1A1HTT
SCHEMBL21913748 0.75 FAAH (0.55) FAAHMGLLHTR1ADRD3PTGS1
SCHEMBL9590157 0.73 HDAC6 (0.41) HDAC6LMNAALDH1A1KMT2AMAPT
SCHEMBL20152507 0.73 BCHE (0.42) HDAC6HTR1ADRD3PTGS1CYP2D6

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 3 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
US-20190123284-A1 POLYHETEROAROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2019-04-25 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-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA HDAC6 3109/4885FAAH 2542/4885MGLL 1155/4885
US-20190123284-A1 POLYHETEROAROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDT, ALKBH1, PPOX HDAC6 2092/4885FAAH 1898/4885MGLL 4365/4885
US-11638390-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA HDAC6 3109/4885FAAH 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.