SCHEMBL6576563

SCHEMBL6576563

OCCCC(O)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
BLM P54132 1/20 0.44
ESR2 Q92731 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 5/20 0.40
AGTR1 P30556 1/20 0.40
HSD17B10 Q99714 3/20 0.38
SLC5A2 P31639 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10620272 0.92 KMT2A (0.41) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL3184008 0.89 KMT2A (0.45) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL7278342 0.82 KMT2A (0.48) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL7292793 0.82 KMT2A (0.48) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11319232 0.82 KMT2A (0.42) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL7292797 0.82 KMT2A (0.48) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11269125 0.81 KMT2A (0.39) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL10034950 0.80
SCHEMBL5029010 0.80
SCHEMBL371100 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743939-B2 NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE ASTRAZENECA AB (SE) 2004-06-01 US disclosed
EP-1263714-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030105161-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-06-05 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 (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-20030105161-A1 Novel phenylheteroalkylamine derivatives NOS1, CYP1A1, NOS2 KMT2A 2767/4885POLB 2156/4885PKM 1312/4885

“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.