SCHEMBL6327672

SCHEMBL6327672

COC(=O)C1=Cn2ccc3cccc(c32)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.36
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NAMPT P43490 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
CRHBP P24387 1/20 0.32

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
SCHEMBL9036977 0.82 MCL1 (0.35) KMT2AMEN1
SCHEMBL6982539 0.81 PARP1 (0.36) LMNA
SCHEMBL6324923 0.67 KMT2A (0.41) ALOX15KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL30540811 0.65 CA12 (0.39) TRPA1ALOX15KDM4EKMT2ACA12
SCHEMBL1093499 0.64 LMNA (0.44) ALOX15KDM4EMAPTKMT2ACA12
SCHEMBL5600204 0.63 CA12 (0.59) TRPA1ALOX15CA12CA9CA2
SCHEMBL29476751 0.63 CA12 (0.59) TRPA1ALOX15CA12CA9CA2
SCHEMBL15984336 0.63 CHRM3 (0.47) KDM4EMAPTCA12CA9CA1
SCHEMBL12474215 0.61 CA12 (0.37) TRPA1ALOX15KDM4EMAPTKMT2A
SCHEMBL6329855 0.60 HTR1A (0.48) KDM4EMAPTKMT2ACA12CA9

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 5 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
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP 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

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 TRPA1 4856/4885ALOX15 2707/4885KDM4E 2855/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 TRPA1 4869/4885ALOX15 2542/4885KDM4E 2625/4885

“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.