SCHEMBL4897631

SCHEMBL4897631

CC(=O)/C(=C/c1cccc(F)c1)C(=O)NCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
EGFR P00533 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
MAPK1 P28482 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
SCHEMBL4502890 1.00 RAB9A (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1OPRM1
SCHEMBL4503673 0.87 RAB9A (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4503675 0.87 RAB9A (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4512772 0.86 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4900705 0.86 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4513294 0.84 MTNR1B (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4899725 0.84 MTNR1B (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4493586 0.83 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4495683 0.83 LMNA (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4893809 0.83 LMNA (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A

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 RAB9A 1373/4885SMN1; SMN2 758/4885NPC1 1982/4885

“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.