SCHEMBL25985109

SCHEMBL25985109

Cc1cc(-c2ccc(C)c(-c3ccccc3)c2)ncc1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
LDHA P00338 1/20 0.40
SGK1 O00141 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
DYRK1A Q13627 2/20 0.35
NPC1 O15118 2/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CYP11B1 P15538 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
SCHEMBL22857694 0.92 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1LDHA
SCHEMBL23562222 0.90 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1LDHA
SCHEMBL18730297 0.87 LDHA (0.50) ADORA3ADORA2AADORA2BADORA1LDHA
SCHEMBL27424196 0.85 LDHA (0.40) ADORA3ADORA2AADORA2BADORA1LDHA
SCHEMBL21888832 0.85 LDHA (0.46) ADORA3ADORA2AADORA1LDHASGK1
SCHEMBL26262042 0.83 LDHA (0.43) ADORA3ADORA2AADORA2BADORA1LDHA
SCHEMBL24066580 0.82 LDHA (0.40) ADORA3ADORA2AADORA1LDHADYRK1A
SCHEMBL23189495 0.80 CYP1A2 (0.42) NPC1ALOX5APFEN1CYP1A2CYP3A4
SCHEMBL19454850 0.80 LDHA (0.47) ADORA3ADORA2AADORA1LDHADYRK1A
SCHEMBL24066448 0.80 LDHA (0.46) ADORA3ADORA2AADORA1LDHADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230345811-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20230320188-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-05 US disclosed
US-20230303601-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
US-20230309374-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
US-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-14 US disclosed
US-11725021-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-15 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 (7 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-20230309374-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, LBR, SSB ADORA3 2769/4885ADORA2A 3521/4885ADORA2B 1963/4885
US-20230303601-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MGLL, SELENOI, APOL1 ADORA3 421/4885ADORA2A 503/4885ADORA2B 959/4885
US-20230320188-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, MLX ADORA3 2353/4885ADORA2A 2756/4885ADORA2B 1872/4885
US-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OXGR1, OCIAD1 ADORA3 3341/4885ADORA2A 2871/4885ADORA2B 3863/4885
US-11725021-B2 Organic electroluminescent materials and devices NCL, OCIAD2, OCIAD1 ADORA3 3494/4885ADORA2A 4050/4885ADORA2B 3623/4885
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, ROS1 ADORA3 1420/4885ADORA2A 3193/4885ADORA2B 2724/4885
US-20230345811-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRD1, L1CAM, OPRM1 ADORA3 1785/4885ADORA2A 4077/4885ADORA2B 4211/4885

“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.