SCHEMBL1508505

SCHEMBL1508505

CC/C(=C\c1ccc(C)cc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.38
SRC P12931 1/20 0.38
PDE5A O76074 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TBXAS1 P24557 2/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL1508506 1.00 MEN1 (0.45) MEN1KMT2ASMN1; SMN2SRCPDE5A
SCHEMBL3501823 0.84 PDE5A (0.39) MEN1KMT2ASRCPDE5APOLB
SCHEMBL3629097 0.84 PDE10A (0.38) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL3501826 0.84 PDE5A (0.39) MEN1KMT2ASRCPDE5APOLB
SCHEMBL3629100 0.84 PDE10A (0.38) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL5861807 0.83 TBXAS1 (0.39) MEN1KMT2ATBXAS1
SCHEMBL5860653 0.81 TBXAS1 (0.39) MEN1KMT2ASMN1; SMN2MAPTTBXAS1
SCHEMBL24587500 0.79 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL7947844 0.79 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL1389544 0.77 SLC9A3 (0.47) MEN1KMT2ASMN1; SMN2SRCCYP1A1

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-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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 (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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 MEN1 2101/4885KMT2A 3704/4885SMN1; SMN2 3695/4885

“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.