SCHEMBL4019614

SCHEMBL4019614

CCC=C(C(=O)OCC)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP8 P22894 1/20 0.43
CASP1 P29466 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL4051755 0.86 MEN1 (0.49) MEN1KMT2AMMP8CASP1MAPT
SCHEMBL4061773 0.86 MEN1 (0.49) MEN1KMT2AMMP8CASP1MAPT
SCHEMBL27590464 0.77 MMP8 (0.57) MEN1KMT2AMMP8LMNAMAPK1
SCHEMBL3266292 0.77 MMP8 (0.57) MEN1KMT2AMMP8LMNAMAPK1
SCHEMBL4297584 0.77 MMP8 (0.57) MEN1KMT2AMMP8LMNAMAPK1
SCHEMBL279960 0.77 MMP8 (0.57) MEN1KMT2AMMP8LMNAMAPK1
SCHEMBL5245988 0.76 CASP1 (0.64) MEN1KMT2AMMP8CASP1MAPT
SCHEMBL28929530 0.75 MMP8 (0.56) MEN1KMT2AMMP8LMNAMAPK1
SCHEMBL28929528 0.75 MMP8 (0.56) MEN1KMT2AMMP8LMNAMAPK1
SCHEMBL29117706 0.74 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 MEN1 1176/4885KMT2A 3953/4885MMP8 1582/4885

“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.