SCHEMBL4740955

SCHEMBL4740955

COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2CCC(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.50
KDR P35968 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GFER P55789 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
EGFR P00533 8/20 0.42
ERBB3 P21860 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 3/20 0.39
ABL1 P00519 3/20 0.39
SRC P12931 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
TNF P01375 1/20 0.39
GMNN O75496 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
SCHEMBL4739356 0.87 FADS1 (0.51) FADS1KDRMEN1LMNAHPGD
SCHEMBL4785097 0.87 FADS1 (0.53) FADS1KDRMEN1LMNAHPGD
SCHEMBL4783582 0.87 FADS1 (0.53) FADS1KDRMEN1LMNAHPGD
SCHEMBL4740936 0.85 FADS1 (0.49) FADS1KDRMEN1LMNAHPGD
SCHEMBL4801370 0.85 FADS1 (0.52) FADS1KDRMEN1LMNAHPGD
SCHEMBL4785821 0.85 FADS1 (0.51) FADS1KDRMEN1LMNAHPGD
SCHEMBL4741728 0.84 FADS1 (0.55) FADS1KDRMEN1LMNAHPGD
SCHEMBL4740979 0.84 FADS1 (0.50) FADS1KDRMEN1LMNAHPGD
SCHEMBL4933434 0.83 FADS1 (0.50) FADS1KDRMEN1LMNAHPGD
SCHEMBL4785627 0.83 KDR (0.54) FADS1KDRMEN1LMNAHPGD

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
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 FADS1 1059/4885KDR 1066/4885MEN1 3245/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885KDR 4593/4885MEN1 3106/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885KDR 4840/4885MEN1 1919/4885

“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.