SCHEMBL20506873

SCHEMBL20506873

OC(=Cc1ccc(Cl)cc1)C(O)C(O)C(O)C(O)C(O)=Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.44
▸ CYP2C9 P11712 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ AKR1C3 P42330 3/20 0.36

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
SCHEMBL1373854 1.00 GRIK1 (0.44) GRIK1CYP2C9TRPA1FBP1ALDH1A1
SCHEMBL10955277 0.96 GRIK1 (0.44) GRIK1CYP2C9TRPA1FBP1ALDH1A1
SCHEMBL7178914 0.94 GRIK1 (0.41) GRIK1CYP2C9TRPA1FBP1ALDH1A1
SCHEMBL20506870 0.88 PDE4A (0.43) GRIK1CYP2C9TRPA1FBP1ALDH1A1
SCHEMBL5069345 0.88 PDE4A (0.43) GRIK1CYP2C9TRPA1FBP1ALDH1A1
SCHEMBL23069335 0.80 ALDH1A1 (0.40) CYP2C9FBP1ALDH1A1AKR1C3AKR1C1
SCHEMBL4160807 0.80 ALDH1A1 (0.40) CYP2C9FBP1ALDH1A1AKR1C3AKR1C1
SCHEMBL23444 0.80 ALDH1A1 (0.40) CYP2C9FBP1ALDH1A1AKR1C3AKR1C1
SCHEMBL4168927 0.80 ALDH1A1 (0.40) CYP2C9FBP1ALDH1A1AKR1C3AKR1C1
SCHEMBL6200543 0.80 KDM4E (0.46) CYP2C9ALDH1A1HTTPTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498713-B1 TRANSPARENT NUCLEATING AGENT COMPOSITION COMPRISING SORBITOL TRIACETALS AND MONOACETALS GCH TECH CO LTD (CN) 2022-01-05 — — EP disclosed
EP-3498713-A1 TRANSPARENT NUCLEATING AGENT COMPOSITION COMPRISING SORBITOL TRIACETALS AND MONOACETALS GCH Technology Co., Ltd. (CN) 2019-06-19 — — EP disclosed
US-10208057-B2 Nucleator composition comprising sorbitol acetal, sorbitol diacetal and sorbitol triacetal GCH TECHNOLOGY CO., LTD. (CN) 2019-02-19 — — US disclosed
US-20180273545-A1 NUCLEATOR COMPOSITION COMPRISING SORBITOL ACETAL, SORBITOL DIACETAL AND SORBITOL TRIACETAL GCH TECHNOLOGY CO., LTD. (CN) 2018-09-27 — — 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-20180273545-A1 NUCLEATOR COMPOSITION COMPRISING SORBITOL ACETAL, SORBITOL DIACETAL AND SORBITOL TRIACETAL SORD, DERA, SMCHD1 GRIK1 4246/4885CYP2C9 4361/4885TRPA1 2676/4885
US-10208057-B2 Nucleator composition comprising sorbitol acetal, sorbitol diacetal and sorbitol triacetal SORD, DERA, SMCHD1 GRIK1 4155/4885CYP2C9 4326/4885TRPA1 2243/4885

“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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