SCHEMBL5145663

SCHEMBL5145663

C=Cc1ccc(C(=O)Cl)cc1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
MDM2 Q00987 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
PARP10 Q53GL7 1/20 0.36
RORC P51449 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PDE4B Q07343 2/20 0.34
PTPN1 P18031 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
TSHR P16473 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BCL2L1 Q07817 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL5145077 0.86 KMT2A (0.49) KMT2AALDH1A1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL5145668 0.85 KMT2A (0.47) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL5167967 0.84 MAPT (0.48) KMT2AALDH1A1BCL2L1MAPTMAPK1
SCHEMBL5143539 0.81 BCL2L1 (0.53) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL2567410 0.76 ALDH1A1 (0.53) PDK1KMT2AALDH1A1PDE4BTSHR
SCHEMBL7353148 0.76 PDE4B (0.54) PDK1KMT2AALDH1A1PDE4BTSHR
SCHEMBL5888699 0.76 TYR (0.40) MDM2ALDH1A1HDAC8MAPT
SCHEMBL340676 0.75 TSHR (0.43) PDK1KMT2AALDH1A1PARP10PDE4B
SCHEMBL2536671 0.74 TSHR (0.47) PDK1KMT2AALDH1A1KCNQ3KCNQ2
SCHEMBL1014238 0.74 RORC (0.56) PDK1KMT2AKCNQ3KCNQ2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123592-A1 Terephthalamide peptidomimetic compounds and methods YALE UNIVERSITY (US) 2007-05-31 US disclosed
EP-1723100-A4 TEREPHTHALAMIDE PEPTIDOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2007-04-04 EP disclosed
EP-1723100-A2 TEREPHTHALAMIDE PEPTIDOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2006-11-22 EP disclosed
WO-2005079541-A2 TEREPHTHALAMIDE PEPTIDOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2005-09-01 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 (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-20070123592-A1 Terephthalamide peptidomimetic compounds and methods CRHBP, ANPEP, DNPEP PDK1 4698/4885MDM2 1413/4885KMT2A 3077/4885

“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.