SCHEMBL21798546

SCHEMBL21798546

O=CC(OC(=O)c1ccccc1)C(O)C(O)C(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
PRKCA P17252 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 2/20 0.39
LMNA P02545 4/20 0.38
F2 P00734 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A3 Q01959 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 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
SCHEMBL16271188 1.00 TSHR (0.47) TSHRTP53PRKCAALDH1A1CYP2D6
SCHEMBL2355030 1.00 TSHR (0.47) TSHRTP53PRKCAALDH1A1CYP2D6
Bromide SCHEMBL8072032 0.99 TSHR (0.46) TSHRTP53PRKCAALDH1A1CYP2D6
SCHEMBL7149024 0.95 TSHR (0.49) TSHRTP53PRKCAALDH1A1CYP2D6
SCHEMBL2347962 0.95 TSHR (0.49) TSHRTP53PRKCAALDH1A1CYP2D6
SCHEMBL27671082 0.95 TSHR (0.49) TSHRTP53PRKCAALDH1A1CYP2D6
SCHEMBL27671072 0.89 TSHR (0.51) TSHRTP53PRKCAALDH1A1CYP2D6
SCHEMBL5371901 0.87 CA12 (0.45) TSHRPRKCAALDH1A1CYP2D6LMNA
SCHEMBL19150118 0.87 LMNA (0.41) TSHRPRKCAALDH1A1CYP2D6LMNA
SCHEMBL23567079 0.85 ALDH1A1 (0.41) TSHRTP53PRKCAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918615-B2 Anti-inflammatory botanical extract INNOPHOS, LLC (US) 2024-03-05 US disclosed
US-11903989-B2 Botanical modulator of metabolic disorders INNOPHOS, LLC (US) 2024-02-20 US disclosed
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 US disclosed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 CN disclosed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 EP disclosed
US-20220031788-A1 Anti-Inflammatory Botanical Extract INNOPHOS, LLC (US) 2022-02-03 US disclosed
US-20220023367-A1 Botanical Antioxidants INNOPHOS, LLC (US) 2022-01-27 US disclosed
US-20210401917-A1 Botanical Modulator of Metabolic Disorders INNOPHOS, LLC (US) 2021-12-30 US disclosed
US-11147849-B2 Botanical modulator of metabolic disorders INNOPHOS, LLC (US) 2021-10-19 US disclosed
US-11141445-B2 Botanical antioxidants INNOPHOS, LLC (US) 2021-10-12 US disclosed
US-11141446-B2 Anti-inflammatory botanical extract INNOPHOS, LLC (US) 2021-10-12 US disclosed
WO-2020201457-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2020-10-08 WO disclosed
US-20200078432-A1 Anti-Inflammatory Botanical Extract INNOPHOS, INC. (US) 2020-03-12 US disclosed
US-20200078431-A1 Botanical Modulator of Metabolic Disorders INNOPHOS, INC. (US) 2020-03-12 US disclosed
US-20200078430-A1 Botanical Antioxidants INNOPHOS, INC. (US) 2020-03-12 US disclosed
CN-85107911-A The production method of ellipticine derivative 1987-02-25 CN disclosed