SCHEMBL6668620

SCHEMBL6668620

CCc1c(/C=C/C(=O)O)ccc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
NFKB1 P19838 2/20 0.47
IAPP P10997 4/20 0.44
MIF P14174 1/20 0.42
KDM4E B2RXH2 4/20 0.42
CA12 O43570 3/20 0.42
CA3 P07451 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
AKR1B10 O60218 3/20 0.42
AKR1B1 P15121 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL6678566 1.00 ESR1 (0.48) ESR1CA1CA2CA4NFKB1
SCHEMBL28249242 0.87 ESR1 (0.49) ESR1CA1CA2CA4NFKB1
SCHEMBL2394180 0.87 ESR1 (0.51) ESR1CA1CA2CA4NFKB1
SCHEMBL6855197 0.86 CA1 (0.47) ESR1CA1CA2CA4NFKB1
SCHEMBL2865033 0.86 CA1 (0.47) ESR1CA1CA2CA4NFKB1
SCHEMBL2388955 0.85 ESR1 (0.47) ESR1CA1CA2CA4NFKB1
SCHEMBL26046327 0.85 CA1 (0.49) ESR1CA1CA2CA4NFKB1
SCHEMBL2392659 0.84 ESR1 (0.46) ESR1CA1CA2CA4NFKB1
SCHEMBL18900158 0.83 CA1 (0.47) ESR1CA1CA2CA4NFKB1
SCHEMBL6063979 0.83 TYR (0.55) NFKB1ALDH1A1MEN1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US claimed
EP-1455736-A1 RESTRUCTURING AND FINISHING OF KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP claimed
WO-2003053375-A1 RESTRUCTURING AND FINISHING OF KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
US-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY 2022-01-06 US disclosed
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2021-08-03 US disclosed
EP-3137074-B1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO UNIV EMORY (US) 2020-08-05 EP disclosed
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2020-03-19 US disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 US disclosed
US-20180318315-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-11-08 US disclosed
US-10052332-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2018-08-21 US disclosed
EP-3137074-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO Emory University (US) 2017-03-08 EP disclosed
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 US disclosed
WO-2015167825-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-11-05 WO disclosed
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US disclosed
US-6541038-B1 Impregnating wood with metal-containing treating agent containing lignin and/or lignin derivatives and a metal, a metal compound, and/or a metal ion, and oxidizing and/or macromolecularizing the lignin SDS BIOTECH K.K. (JP) 2003-04-01 US disclosed
EP-1034903-A1 METHOD FOR THE TREATMENT OF WOOD WITH METALLIC TREATMENT AND WOOD TREATED BY THE METHOD Showa Denko Kabushiki Kaisha (JP) 2000-09-13 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 (7 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-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO PTGER2, PTGES2, PTGER1 ESR1 226/4885CA1 1806/4885CA2 1753/4885
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGES ESR1 195/4885CA1 2176/4885CA2 1833/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 ESR1 226/4885CA1 1806/4885CA2 1753/4885
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 ESR1 226/4885CA1 1806/4885CA2 1753/4885
US-10052332-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 ESR1 226/4885CA1 1806/4885CA2 1753/4885
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 ESR1 226/4885CA1 1806/4885CA2 1753/4885
US-20180318315-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 ESR1 226/4885CA1 1806/4885CA2 1753/4885

“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.