SCHEMBL4786473

SCHEMBL4786473

COc1ccc(Cn2nc(Nc3cc(F)cc(F)c3)c3cc(OC)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 9/20 0.50
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4786338 0.87 BUB1 (0.46) BUB1CNR1CNR2AURKAAURKB
SCHEMBL4785917 0.84 FADS1 (0.49) BUB1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4813171 0.83 FADS1 (0.50) BUB1CPT1ACPT1BLMNASMN1; SMN2
SCHEMBL4785627 0.82 KDR (0.54) BUB1CNR1CNR2AURKAAURKB
SCHEMBL29591994 0.80 BUB1 (0.58) BUB1CNR1CNR2AURKAAURKB
SCHEMBL4786591 0.79 FADS1 (0.48) BUB1MAPTALDH1A1KDM4CKDM4E
SCHEMBL4785513 0.77 FADS1 (0.53) BUB1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4806961 0.76 BUB1 (0.51) BUB1CNR1CNR2AURKAAURKB
SCHEMBL4742251 0.75 FADS1 (0.51) BUB1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6966885 0.75 KDM4E (0.50) BUB1CNR1CNR2CPT1ACPT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 BUB1 3631/4885CNR1 247/4885CNR2 89/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL BUB1 1736/4885CNR1 3044/4885CNR2 2756/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG BUB1 3637/4885CNR1 890/4885CNR2 613/4885

“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.