SCHEMBL4890725

SCHEMBL4890725

CCCC(=O)CCCC(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.37
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
CA1 P00915 2/20 0.33
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
NFKB1 P19838 1/20 0.33
FAAH O00519 3/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL11226078 0.91 CHRNB2 (0.35) KMT2AMAPTCA1CHRNB2CHRNB4
SCHEMBL105813 0.82 MAPT (0.41) KMT2AMAPTTSHRCES2CES1
SCHEMBL27694927 0.79 KMT2A (0.55) KMT2AMAPTTSHRCES2CES1
SCHEMBL27695572 0.79 KMT2A (0.55) KMT2AMAPTTSHRCES2CES1
SCHEMBL20838326 0.78 MAPT (0.39) KMT2AMAPTTSHRCES2CES1
SCHEMBL11451286 0.77 CYP1A2 (0.43) KMT2AMAPTTSHRALDH1A1LMNA
SCHEMBL9853471 0.76 CA1 (0.36) ALDH1A1CA1
SCHEMBL26105510 0.76 KMT2A (0.45) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL5194043 0.75 KMT2A (0.59) KMT2AMAPTTSHRCES2CES1
SCHEMBL16663701 0.75 MAPT (0.52) KMT2AMAPTTSHRCES2CES1

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-7432271-B2 Pyrazolyl inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-07 US disclosed
US-7351727-B2 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-20050070589-A1 Pyrazolyl inhibitors of 15- lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2005-03-31 US disclosed
US-20050065198-A1 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 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-20050070589-A1 Pyrazolyl inhibitors of 15- lipoxygenase ALOX15, ALOX5, ALOX15B KMT2A 3648/4885MAPT 4047/4885TSHR 3875/4885
US-20050065198-A1 Inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B KMT2A 3206/4885MAPT 4250/4885TSHR 3036/4885

“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.