SCHEMBL79317

SCHEMBL79317

Cc1cc(CCCOC2CCCCO2)cs1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CHEK1 O14757 1/20 0.35
P2RX3 P56373 7/20 0.33
OPRM1 P35372 3/20 0.32
OPRK1 P41145 2/20 0.31
OPRD1 P41143 1/20 0.31
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31

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
SCHEMBL10281216 0.84 ICAM1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL26066462 0.78 KDM4C (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL14065880 0.77 KDM4C (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL26066464 0.76 KDM4C (0.45) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL30416895 0.75 MEN1 (0.53) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL79454 0.75 SLC6A2 (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL81144 0.74 KDM4C (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL25095558 0.74 KDM4C (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL17324217 0.74 KDM4C (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL9670893 0.74 KDM4C (0.51) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C MEN1 1026/4885KMT2A 525/4885KDM4C 1969/4885

“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.