SCHEMBL5694644

SCHEMBL5694644

CC(C)CC(=O)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 2/20 0.57
ESR1 P03372 7/20 0.50
ESR2 Q92731 4/20 0.50
HCAR2 Q8TDS4 2/20 0.50
PGR P06401 2/20 0.50
CA12 O43570 2/20 0.50
AKR1B10 O60218 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
AKR1B1 P15121 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
DPP4 P27487 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 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
SCHEMBL5694643 1.00 KDM4E (0.57) KDM4EMAPK1ESR1ESR2HCAR2
SCHEMBL5694682 0.81 ESR1 (0.62) KDM4EMAPK1ESR1ESR2HCAR2
SCHEMBL5694679 0.81 ESR1 (0.62) KDM4EMAPK1ESR1ESR2HCAR2
SCHEMBL5694714 0.80 CA12 (0.61) ESR1CA12AKR1B10CA1CA2
SCHEMBL5694708 0.80 CA12 (0.61) ESR1CA12AKR1B10CA1CA2
SCHEMBL18712219 0.78 ESR1 (0.61) KDM4EMAPK1ESR1ESR2HCAR2
SCHEMBL3458123 0.78 ESR1 (0.61) KDM4EMAPK1ESR1ESR2HCAR2
SCHEMBL3458120 0.78 ESR1 (0.61) KDM4EMAPK1ESR1ESR2HCAR2
Cinnamic Acid SCHEMBL363485 0.78 HCAR2 (0.66) KDM4EMAPK1ESR1ESR2HCAR2
SCHEMBL3617907 0.78 ESR1 (0.55) KDM4EMAPK1ESR1ESR2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
EP-1094055-B1 NOVEL VINYLBENZENE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-04-26 EP disclosed
US-6329547-B1 USEFUL AS THERAPEUTIC AGENTS FOR GLAUCOMA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-12-11 US disclosed
EP-1094055-A1 NOVEL VINYLBENZENE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-04-25 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 KDM4E 4836/4885MAPK1 3536/4885ESR1 2104/4885

“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.