SCHEMBL3082290

SCHEMBL3082290

CCCCC(O)CN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 2/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL15187182 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL15187254 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL5967892 0.98 KMT2A (0.61) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL15187344 0.98 KMT2A (0.61) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL15187197 0.98 KMT2A (0.61) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL19861424 0.94 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL29757428 0.91 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL11530689 0.91 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL19710826 0.87 KMT2A (0.62) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL3082205 0.87 KMT2A (0.62) KMT2AMEN1ALDH1A1L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2010-10-28 US claimed
US-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2009-01-29 US claimed

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-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, DPYD KMT2A 2565/4885MEN1 4577/4885ALDH1A1 548/4885
US-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, NUDT1 KMT2A 2144/4885MEN1 4484/4885ALDH1A1 509/4885

“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.