SCHEMBL5751799

SCHEMBL5751799

COCc1ccc(C(=O)OC)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BRD4 O60885 2/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.46
NR4A2 P43354 3/20 0.45
CREBBP Q92793 1/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
TSHR P16473 1/20 0.44
CFTR P13569 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 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
SCHEMBL31497570 0.86 BRD4 (0.49) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL2650431 0.86 BRD4 (0.49) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL12419944 0.86 BRD4 (0.53) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL5753099 0.86 ALDH1A1 (0.50) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL4026279 0.85 CYP2C9 (0.50) ALDH1A1KDM4ENR4A2CNR1CNR2
SCHEMBL29434198 0.84 BRD4 (0.59) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL70381 0.84 BRD4 (0.59) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL30874622 0.83 ALDH1A1 (0.47) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL6018021 0.83 ALDH1A1 (0.47) LMNASMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL870191 0.83 ALDH1A1 (0.47) LMNASMN1; SMN2BRD4KMT2AALDH1A1

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP LMNA 2989/4885SMN1; SMN2 4771/4885BRD4 461/4885

“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.