SCHEMBL4049716

SCHEMBL4049716

Fc1ccc(CNCCC(Cc2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ CXCR4 P61073 2/20 0.42

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
SCHEMBL8359983 0.88 POLB (0.53) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL3959037 0.84 CYP1A2 (0.51) POLBKMT2AALDH1A1HTTMITF
SCHEMBL4059737 0.84 KMT2A (0.55) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL3958879 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1HTTMITF
SCHEMBL8361471 0.79 MEN1 (0.43) POLBMEN1KMT2AHTTMAPK1
SCHEMBL4055307 0.79 SMN1; SMN2 (0.57) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL8359980 0.76 DPP7 (0.42) POLBMEN1KMT2AHTTMAPK1
SCHEMBL8361468 0.76 MEN1 (0.41) POLBMEN1KMT2AHTTMAPK1
SCHEMBL27560201 0.75 SIGMAR1 (0.50) MEN1KMT2AHTTLMNASIGMAR1
SCHEMBL2798356 0.74 POLB (0.60) POLBMEN1KMT2AALDH1A1KDM4E

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 POLB 1511/4885MEN1 2685/4885KMT2A 585/4885
US-20060030617-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH KEAP1, VHL, IKBKG POLB 1511/4885MEN1 2685/4885KMT2A 585/4885

“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.

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