SCHEMBL8994714

SCHEMBL8994714

CC(=O)Oc1ccc(C(C)OC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.51
ESR1 P03372 3/20 0.51
CYP3A4 P08684 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HIF1A Q16665 2/20 0.51
ABCB11 O95342 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
PDE4A P27815 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRK1 P41145 1/20 0.51
STAT6 P42226 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
ELANE P08246 4/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9478304 0.86 LMNA (0.55) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL30585518 0.85 RAB9A (0.49) CYP3A4CYP2C9TSHRMAPTMEN1
SCHEMBL12742262 0.85 LMNA (0.53) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL14402101 0.85 LMNA (0.53) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL18566588 0.84 LMNA (0.46) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL28884034 0.83 LMNA (0.44) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL9506851 0.82 LMNA (0.59) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL1714626 0.82 LMNA (0.59) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL18911104 0.81 ACACB (0.54) LMNATSHRMAPTALDH1A1MEN1
SCHEMBL1381830 0.81 LMNA (0.43) LMNAKDM4EESR1CYP3A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590557-B1 Process for preparing acetoxystyrene BASF AG (DE) 1996-08-14 EP claimed
US-5380918-A Converting 1-(4-acetoxyphenyl)ethyl carboxylate with an acidic catalyst BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US claimed
US-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US disclosed
US-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US disclosed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US disclosed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US disclosed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 WO disclosed
US-5380918-A Converting 1-(4-acetoxyphenyl)ethyl carboxylate with an acidic catalyst BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
US-5247124-A Process for the preparation of substituted styrenes HOECHST CELANESE CORPORATION (US) 1993-09-21 US disclosed
US-5210278-A Process for the preparation of bisarylalkyl ethers HOECHST CELANESE CORPORATION (US) 1993-05-11 US disclosed
US-5194672-A Process for the preparation of substituted styrenes HOECHST CELANESE CORPORATION (US) 1993-03-16 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-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL1R1, IL1B, IL1A LMNA 1971/4885KDM4E 4136/4885ESR1 506/4885

“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.