SCHEMBL4900690

SCHEMBL4900690

CC(=O)/C(=C/c1ccc(C)cc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
PLAAT3 P53816 2/20 0.53
PLAAT5 Q96KN8 2/20 0.53
PLAAT2 Q9NWW9 2/20 0.53
PLAAT4 Q9UL19 2/20 0.53
KMT2A Q03164 4/20 0.51
PKM P14618 1/20 0.51
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL4513276 1.00 LMNA (0.60) LMNAHTTALDH1A1CYP2C19CYP1A2
SCHEMBL4898673 0.89 LMNA (0.55) LMNAHTTALDH1A1CYP2C19CYP1A2
SCHEMBL4517907 0.89 LMNA (0.55) LMNAHTTALDH1A1CYP2C19CYP1A2
SCHEMBL4501157 0.87 LMNA (0.63) LMNAHTTALDH1A1CYP2C19CYP2C9
SCHEMBL4493586 0.87 SMN1; SMN2 (0.50) LMNAHTTALDH1A1CYP2C19CYP1A2
SCHEMBL4503673 0.87 RAB9A (0.59) LMNAHTTALDH1A1CYP2C19CYP1A2
SCHEMBL4900512 0.87 ALDH1A1 (0.63) LMNAHTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4502358 0.87 LMNA (0.53) LMNAHTTALDH1A1CYP2C19CYP1A2
SCHEMBL4493878 0.87 ALDH1A1 (0.63) LMNAHTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4894625 0.87 SMN1; SMN2 (0.50) LMNAHTTALDH1A1CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E LMNA 3830/4885HTT 3802/4885ALDH1A1 2263/4885

“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.