SCHEMBL25794441

SCHEMBL25794441

CCc1ccccc1-c1nccn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
CYP1A2 P05177 5/20 0.49
CYP2D6 P10635 5/20 0.49
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
ALOX15B O15296 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CNR1 P21554 1/20 0.38
FDPS P14324 1/20 0.38
TP53 P04637 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL19353774 0.80 CYP3A4 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19171596 0.79 BRD4 (0.54) L3MBTL1
SCHEMBL28810308 0.75 P2RX4 (0.50) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18596576 0.75 CYP3A4 (0.39) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25442741 0.74 CYP1A2 (0.37) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19961723 0.73 HTR2C (0.46) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8830212 0.73 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL528245 0.72 MAPK9 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Benzene SCHEMBL27839441 0.72 MAPK9 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28226926 0.72 L3MBTL1 (0.57) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-13 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-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ESRRG, TECR, OXSR1 CYP3A4 840/4885CYP1A2 1269/4885CYP2D6 1598/4885

“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.