SCHEMBL6840894

SCHEMBL6840894

COC(=O)c1cc(Oc2ccc3ccccc3c2)cc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
XDH P47989 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PTPN11 Q06124 1/20 0.48
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL16247158 0.83 TSHR (0.59) KDM4EALDH1A1USP2MAPTTDP1
SCHEMBL6843239 0.81 AKR1C3 (0.58) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL22210569 0.80 TSHR (0.59) KDM4EALDH1A1USP2MAPTTDP1
SCHEMBL1003761 0.79 KDM4E (0.62) KDM4EALDH1A1XDHSLC6A2SLC6A4
SCHEMBL6840904 0.79 SLC6A3 (0.60) SIRT2KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL29600590 0.79 SLC6A3 (0.60) SIRT2KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL6840897 0.79 PTGS2 (0.55) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL6350638 0.78 CA1 (0.60) MEN1KMT2AKDM4EALDH1A1USP2
Hydrochloric Acid SCHEMBL15414839 0.78 KDM4E (0.60) KDM4EALDH1A1XDHSLC6A2SLC6A4
SCHEMBL710275 0.77 CA12 (0.59) KDM4EALDH1A1USP2MAPTTDP1

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 SIRT2 4155/4885SIRT1 4126/4885SIRT3 4393/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 SIRT2 4155/4885SIRT1 4126/4885SIRT3 4393/4885

“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.