SCHEMBL2758566

SCHEMBL2758566

CC(=O)OC1=CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL16767668 0.87 PGR (0.36) GLAESR1PGRCHRM2ADORA3
SCHEMBL16767670 0.87 PGR (0.36) GLAESR1PGRCHRM2ADORA3
SCHEMBL6257126 0.82
SCHEMBL3192528 0.81
SCHEMBL30889158 0.80
SCHEMBL30889145 0.80 MEN1 (0.32)
SCHEMBL30889140 0.80
SCHEMBL28146878 0.79 HIF1A (0.36) ESR1ALDH1A1
SCHEMBL11902289 0.79 ELANE (0.39)
SCHEMBL20421273 0.78 KDM4E (0.31) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556750-B1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME LG CHEMICAL LTD (KR) 2021-02-24 EP disclosed
US-8927750-B2 Acyloxy- and phosphoryloxy-butadiene-Fe(CO)3 complexes as enzyme-triggered co-releasing molecules UNIVERSITAET ZU KOELN (DE) 2015-01-06 US disclosed
US-8927750-B2 Acyloxy- and phosphoryloxy-butadiene-Fe(CO)3 complexes as enzyme-triggered co-releasing molecules UNIVERSITAET ZU KOELN (DE) 2015-01-06 US disclosed
US-8927750-B2 Acyloxy- and phosphoryloxy-butadiene-Fe(CO)3 complexes as enzyme-triggered co-releasing molecules UNIVERSITAET ZU KOELN (DE) 2015-01-06 US disclosed
US-20120202774-A1 ACYLOXY- AND PHOSPHORYLOXY-BUTADIENE-FE(CO)3 COMPLEXES AS ENZYME-TRIGGERED CO-RELEASING MOLECULES UNIVERSITAET REGENSBURG (DE) 2012-08-09 US disclosed
US-20120202774-A1 ACYLOXY- AND PHOSPHORYLOXY-BUTADIENE-FE(CO)3 COMPLEXES AS ENZYME-TRIGGERED CO-RELEASING MOLECULES UNIVERSITAET REGENSBURG (DE) 2012-08-09 US disclosed
US-20120202774-A1 ACYLOXY- AND PHOSPHORYLOXY-BUTADIENE-FE(CO)3 COMPLEXES AS ENZYME-TRIGGERED CO-RELEASING MOLECULES UNIVERSITAET REGENSBURG (DE) 2012-08-09 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-4794193-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-12-27 US disclosed
US-4709707-A Use of 4,4A,5,6-tetrahydro-7-methyl-2-(3H) naphthalenone in augmenting or enhancing the aroma or taste of smoking tobacco and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-12-01 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 (2 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GLA 828/4885LMNA 216/4885ESR1 2623/4885
US-20120202774-A1 ACYLOXY- AND PHOSPHORYLOXY-BUTADIENE-FE(CO)3 COMPLEXES AS ENZYME-TRIGGERED CO-RELEASING MOLECULES PPOX, APEH, ACOX3 GLA 1714/4885LMNA 4172/4885ESR1 2360/4885

“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.