SCHEMBL5065165

SCHEMBL5065165

O=C(O)c1ccc(-c2ccc(F)c(F)c2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.53
BAD Q92934 1/20 0.53
TTR P02766 1/20 0.52
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SRD5A2 P31213 2/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP2C8 P10632 1/20 0.45
ERN1 O75460 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
ALOX15 P16050 1/20 0.43
FOLH1 Q04609 1/20 0.42
RARB P10826 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL4587141 0.83 HSD17B1 (0.49) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL30585141 0.83 BCL2L1 (0.52) BCL2L1BADTTRKDM4ELMNA
SCHEMBL26639280 0.83 BCL2L1 (0.52) BCL2L1BADTTRKDM4ELMNA
SCHEMBL20275806 0.83 ALDH1A1 (0.63) BCL2L1BADTTRKDM4ELMNA
SCHEMBL4470102 0.83 KDM4E (0.56) BCL2L1BADTTRKDM4ELMNA
SCHEMBL505283 0.83 TTR (0.65) BCL2L1BADTTRKDM4ELMNA
SCHEMBL16555872 0.81 SRD5A2 (0.53) BCL2L1BADTTRKDM4ELMNA
SCHEMBL5195634 0.79 TDP1 (0.46) BCL2L1BADTTRKDM4ELMNA
SCHEMBL6252810 0.78 RARB (0.61) BCL2L1BADTTRKDM4ELMNA
SCHEMBL6224543 0.77 SRD5A2 (0.64) BCL2L1BADTTRKDM4ELMNA

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-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP BCL2L1 3605/4885BAD 2548/4885TTR 424/4885

“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.