SCHEMBL11044937

SCHEMBL11044937

CCC(OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC16A3 O15427 3/20 0.41
SLC16A1 P53985 3/20 0.41
MCTS1 Q9ULC4 3/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL11249627 1.00 PPARA (0.46) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11247181 1.00 PPARA (0.46) PPARAPPARGMEN1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL11243218 0.99 PPARA (0.45) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11299144 0.99 PPARA (0.45) PPARAPPARGMEN1MAPTKMT2A
Tromethamine SCHEMBL11239832 0.92 MEN1 (0.42) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11238172 0.89 PPARA (0.43) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11299139 0.89 PPARA (0.43) PPARAPPARGMEN1MAPTKMT2A
Potassium Ion SCHEMBL11245683 0.89 PPARA (0.43) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11248105 0.89 MEN1 (0.46) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL4130175 0.86 ALDH1A1 (0.44) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037697-B1 DIOXOLANE DERIVATIVES FOR USE AS CHEMICAL INTERMEDIATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-01 EP claimed
EP-0009306-B1 ANTI-ARTHRITIC HYDROXYACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP claimed
US-4310544-A Hydroxyacetic acid derivatives with anti-arthritic properties IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-01-12 US claimed
EP-0009306-A1 Anti-arthritic hydroxyacetic acid derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 EP claimed
US-20070213402-A1 Compounds which interact with the thyroid hormone receptor for the treatment of fibrotic disease BILLINGHAM MICHAEL E J 2007-09-13 US disclosed
US-20070213402-A1 Compounds which interact with the thyroid hormone receptor for the treatment of fibrotic disease BILLINGHAM MICHAEL E J 2007-09-13 US disclosed
EP-0037697-B1 DIOXOLANE DERIVATIVES FOR USE AS CHEMICAL INTERMEDIATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-01 EP disclosed
EP-0009306-B1 ANTI-ARTHRITIC HYDROXYACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP disclosed
US-4348322-A Dioxolane derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-09-07 US disclosed
US-4310544-A Hydroxyacetic acid derivatives with anti-arthritic properties IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-01-12 US disclosed
EP-0037697-A1 Dioxolane derivatives for use as chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 EP disclosed
EP-0037698-A1 Benzaldehyde derivatives for use as a chemical intermediate IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 EP disclosed
EP-0009306-A1 Anti-arthritic hydroxyacetic acid derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 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-20070213402-A1 Compounds which interact with the thyroid hormone receptor for the treatment of fibrotic disease TSHR, TRHR, MUSK PPARA 263/4885PPARG 149/4885MEN1 738/4885

“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.