SCHEMBL5694685

SCHEMBL5694685

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.56
ESR2 Q92731 4/20 0.56
PGR P06401 2/20 0.56
HCAR2 Q8TDS4 2/20 0.49
CA12 O43570 1/20 0.49
AKR1B10 O60218 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
PKM P14618 1/20 0.49
TYR P14679 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
DPP4 P27487 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49

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
SCHEMBL5694688 1.00 ESR1 (0.56) ESR1ESR2PGRHCAR2CA12
SCHEMBL5694671 0.81 ESR1 (0.53) ESR1ESR2PGRHCAR2CA12
SCHEMBL5694667 0.81 ESR1 (0.53) ESR1ESR2PGRHCAR2CA12
SCHEMBL23190959 0.80 ALDH1A1 (0.48) TYRKDM4EMAPK1THRB
SCHEMBL5694682 0.80 ESR1 (0.62) ESR1ESR2PGRHCAR2CA12
SCHEMBL5694679 0.80 ESR1 (0.62) ESR1ESR2PGRHCAR2CA12
SCHEMBL5694733 0.77 KDM4E (0.56) ESR1ESR2PGRHCAR2CA12
SCHEMBL5694729 0.77 KDM4E (0.56) ESR1ESR2PGRHCAR2CA12
SCHEMBL5694796 0.76 MAPT (0.56) ESR1ESR2PGRHCAR2CA12
SCHEMBL5694798 0.76 MAPT (0.56) ESR1ESR2PGRHCAR2CA12

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 ESR1 2104/4885ESR2 975/4885PGR 1158/4885

“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.