SCHEMBL6803983

SCHEMBL6803983

CCOP(=O)(CC(C)=CC(=O)O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PPARD Q03181 2/20 0.41
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
NR1I2 O75469 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL6279256 1.00 TSHR (0.41) TSHRPPARDKDM4EATMMAPT
SCHEMBL15475612 1.00 TSHR (0.41) TSHRPPARDKDM4EATMMAPT
SCHEMBL6153093 0.81 TSHR (0.39) TSHRPPARDMAPTMAPK1CYP2D6
SCHEMBL2079724 0.81 NPSR1 (0.44) TSHRPPARDKDM4EMAPTMAPK1
SCHEMBL9246311 0.81 TSHR (0.39) TSHRPPARDMAPTMAPK1CYP2D6
SCHEMBL711893 0.81 NPSR1 (0.44) TSHRPPARDKDM4EMAPTMAPK1
SCHEMBL15475608 0.81 KDM4E (0.35) KDM4EATMCYP2D6CYP2C9CYP2C19
SCHEMBL11172103 0.80 KDM4E (0.39) KDM4EATM
SCHEMBL11172053 0.80 KDM4E (0.39) KDM4EATM
SCHEMBL11172080 0.80 KDM4E (0.39) KDM4EATM

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
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2021-02-16 US disclosed
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-18 US disclosed
WO-2004108678-A1 (1,2,3,4-TETRAHYDROQUINOLIN-8-YL)-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-6734193-B1 REDUCE SERUM GLUCOSE AND SERUM TRIGLYCERIDE LEVELS IN DIABETIC MAMMALS WITHOUT THE UNDESIRABLE PROPERTIES OF REDUCING SERUM THYROXINE LEVELS AND TRANSIENTLY RAISING TRIGLYCERIDE LEVELS ALLERGAN, INC. 2004-05-11 US disclosed
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity ALLERGAN SALES, INC. 2003-07-31 US disclosed
EP-0591046-B1 Chromene derivatives with a triene chain for use in the treatment of osteoporosis inflammatory diseases ADIR (FR) 1998-12-02 EP disclosed
US-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed
US-5391569-A Treating osteoporosis, inflammatory disorders ADIR ET COMPAGNIE (FR) 1995-02-21 US disclosed
EP-0591046-A1 Chromene derivatives with a triene chain for use in the treatment of osteoporosis inflammatory diseases ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed
US-4975454-A Triene compounds having a chromene structure ADIR ET COMPAGNIE (FR) 1990-12-04 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 (3 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-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA TSHR 53/4885PPARD 44/4885KDM4E 4137/4885
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity NR1H4, FXR1, GPBAR1 TSHR 311/4885PPARD 304/4885KDM4E 4666/4885
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA TSHR 53/4885PPARD 44/4885KDM4E 4137/4885

“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.