SCHEMBL9754958

SCHEMBL9754958

CCC1CC(=O)CC1CC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL12629173 1.00 NOS3 (0.36) NOS3NOS1NOS2MAPK1MEN1
SCHEMBL6437994 1.00 NOS3 (0.36) NOS3NOS1NOS2MAPK1MEN1
SCHEMBL6442259 1.00 NOS3 (0.36) NOS3NOS1NOS2MAPK1MEN1
SCHEMBL1934068 0.87 BRD4 (0.33) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL1934066 0.87 BRD4 (0.33) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL1933580 0.87 BRD4 (0.33) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL6440814 0.87 NOS1 (0.39) NOS3NOS1NOS2
SCHEMBL1933577 0.87 BRD4 (0.33) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL6438530 0.87 NOS1 (0.39) NOS3NOS1NOS2
SCHEMBL27873411 0.87 NOS3 (0.30) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377921-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-19 US disclosed
US-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
WO-1991013616-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-09-19 WO disclosed
EP-0403487-A4 NOVEL HMG-COA REDUCTASE INHIBITORS 1991-06-05 EP disclosed
US-4996234-A Anticholesterol agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-02-26 US disclosed
EP-0403487-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-12-27 EP disclosed
US-4900754-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORP. (US) 1990-02-13 US disclosed
US-4863957-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed
WO-1989005639-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-06-29 WO disclosed
EP-0011369-B1 PROCESS FOR PREPARING 3-EXOMETHYLENECEPHAM SULFOXIDES ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
EP-0011369-A1 Process for preparing 3-exomethylenecepham sulfoxides ELI LILLY AND COMPANY (US) 1980-05-28 EP disclosed
US-4190724-A Process for 3-exomethylenecepham sulfoxides ELI LILLY AND COMPANY (US) 1980-02-26 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 (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-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 NOS3 3416/4885NOS1 3296/4885NOS2 3643/4885

“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.