SCHEMBL11959217

SCHEMBL11959217

CCOCC(O)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.58
▸ CYP2D6 P10635 3/20 0.56
▸ ADRB2 P07550 1/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29620622 0.93 LTA4H (0.58) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL28727723 0.90 KDM1A (0.56) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL14904502 0.89 LMNA (0.50) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL11400908 0.88 LMNA (0.61) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL12787423 0.87 LMNA (0.56) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL267463 0.86 LMNA (0.68) LMNACYP2D6ADRB2ADRB1ADRB3
Ether SCHEMBL9517511 0.86 TSHR (0.57) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL25688271 0.85 LMNA (0.57) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL15677159 0.85 KMT2A (0.60) CYP2D6POLBKDM4EMEN1KMT2A
SCHEMBL16928532 0.84 LMNA (0.72) LMNACYP2D6ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224095-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM 株式会社レゾナック 2023-11-23 — — WO disclosed
CN-109641823-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2022-05-06 — — CN disclosed
US-9295617-B2 Dental composition, method of producing and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 — — US disclosed
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 — — US disclosed
US-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-11-14 — — US disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 — — US disclosed
US-8410210-B2 Fluorine-containing novolac resin, fluorine-containing surfactant, fluorine-containing surfactant composition, and resin composition DIC CORPORATION (JP) 2013-04-02 — — US disclosed
EP-2481390-A1 Dental composition, method of producing and use thereof 3M Innovative Properties Company (US) 2012-08-01 — — 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 (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-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF PAM, PTMS, ACR LMNA 489/4885CYP2D6 442/4885ADRB2 4360/4885
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX LMNA 57/4885CYP2D6 2094/4885ADRB2 4128/4885

“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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