SCHEMBL6325276

SCHEMBL6325276

COC(=O)C(=O)c1c[nH]c2c(CO[Si](C(C)C)(C(C)C)C(C)C)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NR4A2 P43354 2/20 0.41
UBE2N P61088 1/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HAT1 O14929 2/20 0.38
EP300 Q09472 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 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
SCHEMBL6324921 0.90 ALDH1A1 (0.43) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL6327871 0.87 ALDH1A1 (0.41) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL6029923 0.78 ALDH1A1 (0.49) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL9950287 0.76 ALDH1A1 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL6029456 0.76 ALDH1A1 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL6328613 0.75 NR4A2 (0.41) NR4A2MAPTGABRPGABRDGABRA1
SCHEMBL6031158 0.74 ALDH1A1 (0.43) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL989756 0.73 NR4A2 (0.73) ALDH1A1LMNAHTTNR4A2RAB9A
SCHEMBL6329709 0.73 NR4A2 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL6327865 0.73 ALDH1A1 (0.42) ALDH1A1LMNAHTTMEN1KMT2A

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
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 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 (2 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 ALDH1A1 1225/4885LMNA 1906/4885HTT 2907/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 ALDH1A1 1132/4885LMNA 1698/4885HTT 2946/4885

“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.