SCHEMBL5543565

SCHEMBL5543565

O=C(O)C1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FPR1 P21462 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
STING1 Q86WV6 1/20 0.37

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
SCHEMBL13141516 0.83 ALDH1A1 (0.49) ALDH1A1TSHRPOLBCYP2C19LMNA
SCHEMBL10051931 0.79 TSHR (0.45) ALDH1A1TSHRKDM4EHTTL3MBTL1
SCHEMBL1096745 0.77 KDM4E (0.47) ALDH1A1TSHRKDM4EHTTPOLB
SCHEMBL31502919 0.70 MAPT (0.49) ALDH1A1HTT
SCHEMBL31502943 0.69 PKM (0.51) ALDH1A1TSHRKDM4EHTTPOLB
SCHEMBL13141514 0.69 KMT2A (0.49) ALDH1A1TSHRCYP2C19LMNAMEN1
SCHEMBL31502953 0.68 MDM2 (0.53) ALDH1A1HTT
SCHEMBL31502926 0.68 FFAR1 (0.43) KDM4EPOLBLMNAMEN1KMT2A
Bicarbonate SCHEMBL14811674 0.67 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EL3MBTL1HPGD
SCHEMBL10554268 0.66 TSHR (0.56) ALDH1A1TSHRKDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-17 US disclosed
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-17 US disclosed
WO-2010083505-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-22 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-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR BIRC5, CDC20, CCNB1 ALDH1A1 1765/4885TSHR 4503/4885KDM4E 4461/4885

“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.