SCHEMBL3958879

SCHEMBL3958879

COc1ccc(CNCCC(Cc2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.54
▸ KMT2A Q03164 11/20 0.54
▸ GPR55 Q9Y2T6 3/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ HTR6 P50406 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MITF O75030 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ ATM Q13315 1/20 0.48

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
SCHEMBL8363246 0.89 MEN1 (0.56) MEN1KMT2AGPR55CNR1SMN1; SMN2
SCHEMBL4049716 0.84 POLB (0.52) MEN1KMT2AGPR55CNR1SMN1; SMN2
SCHEMBL4059737 0.84 KMT2A (0.55) MEN1KMT2ANPSR1HTTMAPK1
SCHEMBL3953292 0.81 MEN1 (0.74) MEN1KMT2AGPR55CNR1SMN1; SMN2
SCHEMBL8361471 0.76 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL6322828 0.76 MEN1 (0.86) MEN1KMT2AGPR55CNR1SMN1; SMN2
SCHEMBL8361468 0.75 MEN1 (0.41) MEN1KMT2ASMN1; SMN2HTR1AHTR7
SCHEMBL27560201 0.75 SIGMAR1 (0.50) MEN1KMT2ALMNAHTT
SCHEMBL8359980 0.73 DPP7 (0.42) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL8359983 0.73 POLB (0.53) MEN1KMT2AGPR55CNR1SMN1; SMN2

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
EP-1551388-A4 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH SIGNAL PHARM INC (US) 2009-07-15 — — EP disclosed
US-20060142352-A1 Compounds useful for the treatment of cancer, compositions thereof and methods therewith SIGNAL PHARMACEUTICALS, LLC 2006-06-29 — — US disclosed
US-7037936-B2 Compounds useful for the treatment of cancer, compositions thereof and methods therewith SIGNAL PHARMACEUTICALS, LLC. (US) 2006-05-02 — — US disclosed
US-20060030617-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH NEW YORK UNIVERSITY 2006-02-09 — — US disclosed
EP-1551388-A2 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH Signal Pharmaceuticals, Inc. (US) 2005-07-13 — — EP disclosed
WO-2003105774-A2 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-12-24 — — WO disclosed
WO-2003105774-A2 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-12-24 — — 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 (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-20060142352-A1 Compounds useful for the treatment of cancer, compositions thereof and methods therewith KEAP1, VHL, IKBKG MEN1 2685/4885KMT2A 585/4885GPR55 4464/4885
US-20060030617-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH KEAP1, VHL, IKBKG MEN1 2685/4885KMT2A 585/4885GPR55 4464/4885

“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.

Send feedback