SCHEMBL3814655

SCHEMBL3814655

CC(=O)c1c(Cc2ccccc2O)ccc(CCl)c1O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.48
▸ PRKCI P41743 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ AKR1B1 P15121 1/20 0.40
▸ KEAP1 Q14145 1/20 0.38
▸ IAPP P10997 1/20 0.37
▸ IDH1 O75874 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL13708480 0.74 HSPA5 (0.50) HSPA5PRKCITHRBAKR1B1KEAP1
SCHEMBL3667199 0.72 CA12 (0.38) HSPA5PRKCITHRBAKR1B1CNR2
Methyl Alcohol SCHEMBL27865106 0.70 HSPA5 (0.56) HSPA5AKR1B1KEAP1
SCHEMBL1234540 0.70 — —
SCHEMBL29357407 0.70 HSPA5 (1.00) HSPA5AKR1B1KEAP1
SCHEMBL49745 0.70 HSPA5 (1.00) HSPA5AKR1B1KEAP1
Methacrylic Acid SCHEMBL732426 0.68 HSPA5 (0.61) HSPA5AKR1B1KEAP1IAPPIDH1
SCHEMBL1879310 0.68 GABRA1 (0.43) THRBIAPP
SCHEMBL31010423 0.68 HSPA5 (0.59) HSPA5AKR1B1KEAP1
SCHEMBL15509504 0.68 THRB (0.57) THRBAKR1B1KEAP1

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 HSPA5 1851/4885PRKCI 3244/4885THRB 4611/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES HSPA5 1851/4885PRKCI 3244/4885THRB 4611/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES HSPA5 1851/4885PRKCI 3244/4885THRB 4611/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES HSPA5 1851/4885PRKCI 3244/4885THRB 4611/4885

“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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