SCHEMBL5207857

SCHEMBL5207857

CCCC(=CC(=O)O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 2/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL5474706 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8342034 0.85 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2884348 0.85 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2884349 0.85 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2886491 0.81 HSD17B10 (0.51) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL9843030 0.81 HDAC3 (0.68) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL10472081 0.80 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5204156 0.80 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5204164 0.80 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5204153 0.80 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 ALDH1A1 721/4885MAPT 4727/4885MEN1 4426/4885

“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.