SCHEMBL401597

SCHEMBL401597

CCOc1cc(C(=O)OC)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
PKM P14618 2/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL20693295 0.92 TSHR (0.48) LMNAPKMCA12CA1CA2
Syringate SCHEMBL159392 0.88 CA12 (0.67) LMNAPKMCA12CA1CA2
SCHEMBL402010 0.85 CA12 (0.76) LMNAPKMCA12CA1CA2
SCHEMBL16055084 0.84 ESR1 (0.49) LMNACA12CA1CA2CA7
SCHEMBL20763257 0.83 KMT2A (0.54) LMNATSHRKDM4EALDH1A1KMT2A
SCHEMBL3576601 0.83 LMNA (0.57) LMNATSHRKDM4EALDH1A1KMT2A
SCHEMBL8639986 0.83 BPTF (0.56) TSHRKDM4EALDH1A1KMT2AMAPK1
SCHEMBL732996 0.82 TSHR (0.50) LMNATSHRKDM4EKMT2AL3MBTL1
SCHEMBL14150016 0.82 TSHR (0.50) LMNATSHRKDM4EGAAKMT2A
SCHEMBL582920 0.81 HSD17B2 (0.68) LMNAPKMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA LMNA 2858/4885PKM 1414/4885CA12 4553/4885

“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.