SCHEMBL3185829

SCHEMBL3185829

CCCCCCCC(I)(C#CC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ SCN5A Q14524 3/20 0.39
▸ SCN9A Q15858 3/20 0.39
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ NAAA Q02083 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ EBP Q15125 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL29211131 0.81 CHRM2 (0.46) GAASCN5ASCN9ACES2CES1
SCHEMBL31314899 0.81 CHRM2 (0.46) GAASCN5ASCN9ACES2CES1
SCHEMBL29211095 0.79 CHRM2 (0.46) GAASCN5ASCN9ACES2CES1
SCHEMBL5046411 0.77 GAA (0.43) GAASCN5ASCN9ACES2CES1
SCHEMBL3409880 0.77 GAA (0.43) GAASCN5ASCN9ACES2CES1
SCHEMBL29211091 0.75 CHRM2 (0.46) GAASCN5ASCN9ACES2CES1
SCHEMBL28315620 0.72 GAA (0.44) GAASCN5ASCN9ACES2CES1
SCHEMBL28315934 0.72 GAA (0.44) GAASCN5ASCN9ACES2CES1
SCHEMBL28314369 0.72 GAA (0.44) GAASCN5ASCN9ACES2CES1
SCHEMBL28315811 0.72 GAA (0.44) GAASCN5ASCN9ACES2CES1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288503-A WATER-PERMEABLE DIFFUSION BARRIER OF POLYVINYL ALCOHOL SRCHEM INCORPORATED (US) 1994-02-22 — — US claimed
US-5260066-A Cryogel bandage containing therapeutic agent SRCHEM INCORPORATED (US) 1993-11-09 — — US claimed
EP-3185850-B1 SKIN COLOR-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN COLOR SHOWA DENKO KK (JP) 2019-10-09 — — EP disclosed
US-20170312301-A1 SKIN BARRIER FUNCTION-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN BARRIER FUNCTION SHOWA DENKO K.K. (JP) 2017-11-02 — — US disclosed
US-20170312207-A1 MOISTURIZING AGENT SHOWA DENKO K.K. (JP) 2017-11-02 — — US disclosed
US-20170312200-A1 AN AGENT FOR IMPROVING MITOCHONDRIAL FUNCTION SHOWA DENKO K.K. (JP) 2017-11-02 — — US disclosed
EP-3219304-A1 MOISTURIZING AGENT Showa Denko K.K. (JP) 2017-09-20 — — EP disclosed
EP-3213753-A1 SKIN BARRIER FUNCTION-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN BARRIER FUNCTION Showa Denko K.K. (JP) 2017-09-06 — — EP disclosed
EP-3213739-A1 AGENT FOR IMPROVING MITOCHONDRIAL FUNCTION AND ANTI-AGING COMPOSITION Showa Denko K.K. (JP) 2017-09-06 — — EP disclosed
CN-107106586-A Skin barrier function improver and skin barrier function improvement composition 昭和电工株式会社 2017-08-29 — — CN disclosed
CN-107106430-A Mitochondrial function improver and aging prevent from using composition 昭和电工株式会社 2017-08-29 — — CN disclosed
EP-0253901-B1 SUSTAINED-RELEASE PREPARATION TEIJIN LIMITED (JP) 1991-12-27 — — EP disclosed
EP-0227836-B1 SUSTAINED RELEASING PATCH TEIJIN LIMITED (JP) 1991-12-27 — — EP disclosed
US-4990340-A Percutaneous administration without skin irritability TEIJIN LIMITED (JP) 1991-02-05 — — US disclosed
US-4801458-A POROUS HOLLOW FIBERS FILLED WITH MEDICINE TEIJIN LIMITED (JP) 1989-01-31 — — US disclosed
EP-0179277-B1 MEDICAL COMPOSITION FOR EXTERNAL APPLICATION Kao Corporation (JP) 1988-11-02 — — EP disclosed
EP-0253901-A1 SUSTAINED-RELEASE PREPARATION TEIJIN LIMITED (JP) 1988-01-27 — — EP disclosed
US-4686211-A Medical composition for external application KAO CORPORATION (JP) 1987-08-11 — — US disclosed
EP-0227836-A1 SUSTAINED RELEASING PATCH TEIJIN LIMITED (JP) 1987-07-08 — — EP disclosed
EP-0179277-A1 Medical composition for external application Kao Corporation (JP) 1986-04-30 — — 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 (1 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-20170312200-A1 AN AGENT FOR IMPROVING MITOCHONDRIAL FUNCTION UQCRC1, ACAD9, CYP27B1 GAA 3419/4885SCN5A 2993/4885SCN9A 1793/4885

“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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