SCHEMBL2515111

SCHEMBL2515111

CCC(O)Cc1ccc([PH](=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.34
▸ TRPA1 O75762 3/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ PPARA Q07869 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ SLC6A4 P31645 3/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ PTGS1 P23219 2/20 0.30
▸ PTGS2 P35354 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ALB P02768 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ADRB3 P13945 1/20 0.30

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
SCHEMBL29913385 0.82 ESR1 (0.45) ESR1TRPA1ESR2POLBLMNA
SCHEMBL5355281 0.76 ALDH1A1 (0.46) TRPA1ALDH1A1
SCHEMBL9807550 0.75 ALDH1A1 (0.39) ESR1ESR2LMNAALDH1A1TDP1
SCHEMBL18779904 0.74 GRIN2D (0.41) ESR1TRPA1ESR2PPARAPPARG
SCHEMBL14402400 0.74 GRIN2D (0.41) ESR1TRPA1ESR2PPARAPPARG
SCHEMBL26238707 0.74 GRIN2D (0.41) ESR1TRPA1ESR2PPARAPPARG
SCHEMBL16067460 0.74 TRPA1 (0.53) ESR1TRPA1ESR2PPARALMNA
SCHEMBL10585894 0.74 TRPA1 (0.53) ESR1TRPA1ESR2PPARALMNA
SCHEMBL106892 0.74 ESR1 (0.59) ESR1ESR2LMNATRPV1PTGS1
SCHEMBL15178261 0.74 ESR1 (0.39) ESR1TRPA1ESR2POLBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 — — US disclosed
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-13 — — 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 (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-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof LPAR6, LPAR2, HAO2 ESR1 247/4885TRPA1 3866/4885ESR2 140/4885

“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.

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