SCHEMBL3807233

SCHEMBL3807233

CCOC(=O)c1cccc(Cc2ccccc2O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CDC25B P30305 3/20 0.51
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HSPA5 P11021 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
CCR6 P51684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44

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
SCHEMBL10792105 0.85 TSHR (0.57) TSHRCA12CA1CA2CA7
SCHEMBL26107048 0.84 TSHR (0.63) TSHRCA12CA1CA2CA7
SCHEMBL11153590 0.83 TDP1 (0.66) TSHRALDH1A1HSPA5TDP1CYP1A2
SCHEMBL340364 0.82 CA12 (0.67) TSHRCA12CA1CA2CA7
SCHEMBL10571657 0.81 TSHR (0.73) TSHRCA12CA1CA2CA7
SCHEMBL27897798 0.80 TSHR (0.58) TSHRCA12CA1CA2CA7
Ethyl Salicylate SCHEMBL29589494 0.80 TSHR (0.54) TSHRCA12CA1CA2CA7
Ethyl Salicylate SCHEMBL29501114 0.79 TSHR (0.77) TSHRCA12CA1CA2CA7
Ethyl Salicylate SCHEMBL1870434 0.79 TSHR (0.77) TSHRCA12CA1CA2CA7
Ethyl Salicylate SCHEMBL39622 0.79 TSHR (0.77) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
WO-2008012603-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DIFLUNISAL AND RELATED COMPOUNDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-01-31 WO 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 (4 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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES TSHR 4680/4885CA12 1787/4885CA1 1971/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES TSHR 4680/4885CA12 1787/4885CA1 1971/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES TSHR 4680/4885CA12 1787/4885CA1 1971/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES TSHR 4680/4885CA12 1787/4885CA1 1971/4885

“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.