SCHEMBL1546492

SCHEMBL1546492

CCOc1cc(OC)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
TSHR P16473 3/20 0.53
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.51
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NEK2 P51955 1/20 0.48
RCE1 Q9Y256 1/20 0.48

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
SCHEMBL4844621 0.89 KDM4E (0.70) KDM4ETSHRHSD17B10AKR1C3AKR1C2
SCHEMBL7827322 0.89 KDM4E (0.47) KDM4ETSHRHSD17B10POLBAKR1C3
SCHEMBL3903917 0.88 KDM4E (0.60) KDM4ETSHRHSD17B10POLBLMNA
SCHEMBL1881271 0.88 KDM4E (0.59) KDM4ETSHRHSD17B10LMNAMAPT
SCHEMBL6496898 0.87 KDM4E (0.53) KDM4ETSHRHSD17B10LMNAMAPT
SCHEMBL7290141 0.87 KDM4E (0.51) KDM4EPOLBAKR1C3AKR1C2LMNA
SCHEMBL9185455 0.87 KDM4E (0.59) KDM4ETSHRHSD17B10POLBLMNA
SCHEMBL4304889 0.87 PPARG (0.55) KDM4ETSHRPOLBAKR1C3AKR1C2
SCHEMBL7497130 0.86 KDM4E (0.61) KDM4ETSHRHSD17B10POLBLMNA
SCHEMBL28515025 0.85 TSHR (0.50) KDM4ETSHRLMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112375168-B Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2022-03-29 CN disclosed
CN-112375168-A Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2021-02-19 CN disclosed
CN-112342032-A Rod-like polar liquid crystal molecule, preparation method thereof and rod-like polar nematic liquid crystal 华南理工大学 2021-02-09 CN disclosed
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
EP-1960368-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
WO-2007063013-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO 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-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 387/4885TSHR 761/4885HSD17B10 3554/4885

“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.