SCHEMBL4438700

SCHEMBL4438700

COc1ccc(C=CCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GSK3B P49841 1/20 0.53
RELA Q04206 2/20 0.52
TRPA1 O75762 1/20 0.52
PTGS2 P35354 3/20 0.52
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
PTGS1 P23219 2/20 0.52
F3 P13726 2/20 0.52
ALOX12 P18054 1/20 0.52
ESR1 P03372 2/20 0.50
NQO2 P16083 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX5 P09917 2/20 0.50
ABL1 P00519 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
SCHEMBL6266537 1.00 KDM4E (0.53) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL9148376 0.87 LTB4R (0.49) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL8416685 0.87 LTB4R (0.49) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL1278753 0.84 KDM4E (0.57) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL1278751 0.84 KDM4E (0.57) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL13181157 0.82 KDM4E (0.55) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL12479217 0.82 KDM4E (0.55) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL30472942 0.81 KDM4E (0.53) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL4747206 0.81 KDM4E (0.53) KDM4ELMNACYP3A4TP53TSHR
SCHEMBL16877138 0.80 ALDH1A1 (0.54) KDM4ELMNACYP3A4TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007100182-A1 POLYMER NANOCAPSULES AND THE PROCESS FOR PREPARING THE SAME, AND THE SKIN EXTERNAL COMPOSITION CONTAINING THE NANOCAPSULES AMOREPACIFIC CORPORATION (KR) 2007-09-07 WO claimed
CN-120136763-A C-3 benzylated indole compound, preparation method and application thereof 遵义医科大学 2025-06-13 CN disclosed
EP-3212184-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE Abbvie S.a.r.l. (LU) 2017-09-06 EP disclosed
WO-2016069891-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO disclosed
EP-2137169-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-12-30 EP disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 WO disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
WO-2005051904-A2 NOVEL PROCESSES FOR THE SYNTHESIS OF CYCLOPROPYL COMPOUNDS PHARMACIA CORPORATION (US) 2005-06-09 WO disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 KDM4E 2902/4885LMNA 3139/4885CYP3A4 3519/4885

“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.