SCHEMBL16998554

SCHEMBL16998554

CC(=O)c1ccc(COC2CCCCO2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CREBBP Q92793 2/20 0.48
KDM4C Q9H3R0 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
EP300 Q09472 1/20 0.39
HCAR3 P49019 1/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL2570348 0.90 MEN1 (0.58) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL15361335 0.89 KMT2A (0.46) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL13134681 0.89 KDM4C (0.45) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL17002030 0.87 RAB9A (0.47) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL2568655 0.80 KDM4C (0.47) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL15361109 0.80 KDM4C (0.47) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL21069390 0.77 KDM4C (0.47) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL16998553 0.76 KDM4C (0.43) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL1930907 0.76 MEN1 (0.70) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL13877223 0.75 NPC1 (0.43) MEN1KMT2ACREBBPKDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872928-B2 Diagnostic agent for therapeutic effect on cancer HAMAMATSU PHOTONICS K.K. (JP) 2018-01-23 US disclosed
US-9598399-B2 Compound suitable for detection of mitochondrial complex-1 HAMAMATSU PHOTONICS K.K. (JP) 2017-03-21 US disclosed
US-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS K.K. (JP) 2016-09-08 US disclosed
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 HAMAMATSU PHOTONICS K.K. (JP) 2015-08-13 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 (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-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER NOC2L, NOP56, NPM1 MEN1 236/4885KMT2A 3075/4885CREBBP 2625/4885
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 MT-ND1, MT-CO1, UQCRC1 MEN1 1177/4885KMT2A 3442/4885CREBBP 1923/4885

“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.