SCHEMBL4242059

SCHEMBL4242059

CC(C)CC1CC(O)=C(C(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.48
MAPT P10636 7/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
ATM Q13315 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ADAM17 P78536 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4242180 0.91 MAPT (0.46) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL13743222 0.84 ALDH1A1 (0.56) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL4244237 0.83 SMN1; SMN2 (0.52) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL13743531 0.80 KMT2A (0.38) ALDH1A1MAPTRAB9ANPC1TP53
SCHEMBL4244319 0.80 TRPV1 (0.41) RAB9ANPC1
SCHEMBL4246954 0.78 NPY5R (0.44) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL4542615 0.78 DEGS1 (0.46) ALDH1A1MAPTRAB9ANPC1HDAC8
SCHEMBL4246135 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL4238268 0.77 TRPV1 (0.42) ALDH1A1NPC1PKMHDAC8HDAC6
SCHEMBL13743546 0.77 KMT2A (0.44) ALDH1A1LMNAMAPTTP53MAPK1

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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 (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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 ALDH1A1 3119/4885LMNA 2709/4885MAPT 1345/4885

“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.