SCHEMBL13529201

SCHEMBL13529201

CCCNCC(c1ccc(C(=O)OCc2ccccc2)cc1)N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.57
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SLC1A2 P43004 1/20 0.44
HCN1 O60741 1/20 0.44
HCN4 Q9Y3Q4 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13529191 0.85 LMNA (0.46) CCR3ALDH1A1CYP3A4TP53KMT2A
SCHEMBL13529174 0.84 CCR3 (0.55) CCR3KMT2ASLC1A2HCN1HCN4
SCHEMBL18840893 0.74 CCR3 (1.00) CCR3
SCHEMBL13529175 0.73 KMT2A (0.58) ALDH1A1CYP3A4KMT2AGAARAB9A
SCHEMBL14689861 0.72 NPC1 (0.61) ALDH1A1TP53KMT2ARAB9ALMNA
SCHEMBL14487906 0.71 KMT2A (0.55) ALDH1A1CYP3A4KMT2AGAARAB9A
SCHEMBL20046056 0.70 KMT2A (0.67) ALDH1A1CYP3A4KMT2AGAARAB9A
SCHEMBL15614364 0.69 KMT2A (0.69) ALDH1A1KMT2AGAARAB9ALMNA
SCHEMBL305765 0.69 ALDH1A1 (0.51) ALDH1A1KMT2ALMNASLC6A3SLC1A2
SCHEMBL21103823 0.69 HSD17B10 (0.50) ALDH1A1KMT2ARAB9AL3MBTL1

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB CCR3 4668/4885ALDH1A1 4596/4885CYP3A4 4427/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN CCR3 3359/4885ALDH1A1 3678/4885CYP3A4 4404/4885

“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.