SCHEMBL13405232

SCHEMBL13405232

COC(=O)CCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ EPHX2 P34913 4/20 0.48
▸ RECQL P46063 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FAAH O00519 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 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
SCHEMBL12666089 0.89 TSHR (0.62) TSHREPHX2KDM4EADRA1ASMN1; SMN2
SCHEMBL12666182 0.89 TSHR (0.62) TSHREPHX2KDM4EADRA1ASMN1; SMN2
SCHEMBL18631906 0.89 TSHR (0.62) TSHREPHX2RECQLKDM4EADRA1A
SCHEMBL905401 0.87 TSHR (0.66) TSHREPHX2RECQLKDM4EADRA1A
SCHEMBL28440634 0.87 TSHR (0.64) TSHREPHX2RECQLKDM4EADRA1A
SCHEMBL16500463 0.86 SMN1; SMN2 (0.58) TSHREPHX2KDM4EADRA1ASMN1; SMN2
SCHEMBL22562632 0.86 EPHX2 (0.60) TSHREPHX2RECQLKDM4EALDH1A1
SCHEMBL15503378 0.86 SMN1; SMN2 (0.58) TSHREPHX2KDM4EADRA1ASMN1; SMN2
SCHEMBL14118056 0.86 EPHX2 (0.60) TSHREPHX2RECQLKDM4EALDH1A1
SCHEMBL12733522 0.86 TSHR (0.67) TSHREPHX2KDM4EADRA1ASMN1; SMN2

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-7700560-B2 Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-20 — — US disclosed
US-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2007-06-07 — — US 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-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth GLS, GLO1, GLRX3 TSHR 3314/4885EPHX2 163/4885RECQL 966/4885

“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.

Send feedback