SCHEMBL17888643

SCHEMBL17888643

Oc1ccc(N2CCC(OCCOC3CCCCO3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ME3 Q16798 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL3 Q96JM7 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ESRRG P62508 3/20 0.34
ESR1 P03372 2/20 0.34
ESRRA P11474 2/20 0.34
ESRRB O95718 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX3 P56373 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL17888523 0.89 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL17931454 0.88 MAPT (0.45) MEN1KMT2AKDM4CL3MBTL1MAPT
SCHEMBL25176801 0.84 MEN1 (0.37) MEN1KMT2AKDM4CL3MBTL1TDP1
SCHEMBL17935504 0.82 MEN1 (0.50) MEN1KMT2AKDM4CME3MAPT
SCHEMBL17888606 0.82 KMT2A (0.45) MEN1KMT2AKDM4CL3MBTL1MAPT
SCHEMBL17888581 0.76 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17931428 0.76 KMT2A (0.39) MEN1KMT2AKDM4CL3MBTL1MAPT
SCHEMBL17888570 0.76 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1MAPT
SCHEMBL4856913 0.76 MEN1 (0.53) MEN1KMT2AKDM4CL3MBTL1MAPT
SCHEMBL1807973 0.76 MEN1 (0.62) MEN1KMT2AKDM4CL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 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 (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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI MEN1 1343/4885KMT2A 1631/4885KDM4C 1636/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 MEN1 1001/4885KMT2A 1421/4885KDM4C 1694/4885

“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.