SCHEMBL6841528

SCHEMBL6841528

O=C(O)c1cc(COc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
NR4A2 P43354 3/20 0.66
NR4A1 P22736 1/20 0.66
NR4A3 Q92570 1/20 0.66
MRGPRX4 Q96LA9 8/20 0.60
SRD5A2 P31213 2/20 0.60
PKM P14618 3/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RXFP1 Q9HBX9 2/20 0.58
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.57
PLA2G4B P0C869 1/20 0.57

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
SCHEMBL2650306 0.96 MEN1 (0.69) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL8058838 0.89 MEN1 (0.59) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL6840895 0.87 MRGPRX4 (0.57) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL28767935 0.86 MEN1 (0.70) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL4138759 0.86 NR4A2 (0.81) NR4A2MRGPRX4PKMRAB9ATP53
SCHEMBL862870 0.85 MEN1 (0.93) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1750167 0.83 NR4A2 (0.86) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL6840892 0.83 LMNA (0.61) MEN1KMT2AMRGPRX4PKMRAB9A
SCHEMBL8044554 0.82 MEN1 (0.70) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL16320242 0.82 NR4A2 (0.71) MEN1KMT2ANR4A2NR4A1NR4A3

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
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 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 (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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MEN1 4867/4885KMT2A 4618/4885NR4A2 1809/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MEN1 4867/4885KMT2A 4618/4885NR4A2 1809/4885

“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.