SCHEMBL6859398

SCHEMBL6859398

CCOC(=O)c1c(-c2ccc(OCC)cc2)c2cc(NCC3CC3)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
SSTR5 P35346 6/20 0.49
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 2/20 0.43
KCNH2 Q12809 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
SERPINE1 P05121 2/20 0.40

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
Hydrochloric Acid SCHEMBL6857505 0.91 SSTR5 (0.51) MAPTSSTR5TP53KCNH2SERPINE1
SCHEMBL6855135 0.83 MAPT (0.63) MAPTKDM4EPKMTHRBCYP2C9
SCHEMBL6859404 0.83 MAPT (0.54) MAPTSSTR5KDM4EPKMTP53
SCHEMBL6858380 0.81 MAPT (0.53) MAPTSSTR5KDM4EPKMTP53
SCHEMBL6858271 0.79 EDNRB (0.55) MAPTKDM4EPKMLMNA
SCHEMBL6855786 0.79 SERPINE1 (0.47) MAPTKDM4ETP53ALDH1A1SERPINE1
SCHEMBL6858358 0.76 SSTR5 (0.48) MAPTSSTR5TP53KCNH2SERPINE1
SCHEMBL6858262 0.75 EDNRB (0.47) MAPTSSTR5TP53KCNH2SERPINE1
SCHEMBL6855171 0.74 KMT2A (0.49) MAPTKDM4EALDH1A1
SCHEMBL6858367 0.70 KMT2A (0.47) MAPTKDM4EPKMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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 (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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD MAPT 3447/4885SSTR5 1757/4885KDM4E 1858/4885

“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.