SCHEMBL5650048

SCHEMBL5650048

CCCC(=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
RARB P10826 6/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
RARA P10276 1/20 0.49
MTOR P42345 1/20 0.49
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
SRD5A2 P31213 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL5649598 0.89 RARB (0.57) ALDH1A1RARBKMT2AMEN1MAPT
SCHEMBL3367595 0.84 ALDH1A1 (0.63) ALDH1A1RARBKMT2AMEN1MAPT
SCHEMBL11142957 0.84 L3MBTL1 (0.50) ALDH1A1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL4541922 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL107900 0.82 L3MBTL1 (0.59) ALDH1A1KMT2AMEN1TSHRTDP1
SCHEMBL5647077 0.80 LOXL2 (0.56) KMT2AMEN1MAPTTSHRTDP1
SCHEMBL106914 0.80 CA2 (0.54) ALDH1A1TP53TDP1L3MBTL1KDM4E
SCHEMBL1411319 0.80 L3MBTL1 (0.62) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL5548416 0.80 IAPP (0.44) ALDH1A1TDP1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9026786 0.79 LMNA (0.60) ALDH1A1KMT2AMEN1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 ALDH1A1 1934/4885RARB 2751/4885KMT2A 2966/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR ALDH1A1 1174/4885RARB 701/4885KMT2A 825/4885

“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.