SCHEMBL17138201

SCHEMBL17138201

CCCCCC(C)C(=O)Oc1cccc(OC(=O)C(C)CCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CA1 P00915 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL17138134 0.95 L3MBTL1 (0.46) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL2291004 0.89 PRSS1 (0.48) PRSS1PRSS2PRSS3CA1L3MBTL1
SCHEMBL17138165 0.89 TSHR (0.44) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL27994629 0.88 PRSS1 (0.50) PRSS1PRSS2PRSS3CA1L3MBTL1
SCHEMBL2294692 0.88 PRSS1 (0.50) PRSS1PRSS2PRSS3CA1L3MBTL1
SCHEMBL11699133 0.88 PRSS1 (0.50) PRSS1PRSS2PRSS3CA1L3MBTL1
SCHEMBL1900961 0.88 PRSS1 (0.50) PRSS1PRSS2PRSS3CA1L3MBTL1
SCHEMBL29266799 0.88 PRSS1 (0.50) PRSS1PRSS2PRSS3CA1L3MBTL1
SCHEMBL2294967 0.88 PRSS1 (0.50) PRSS1PRSS2PRSS3CA1L3MBTL1
SCHEMBL1537155 0.84 CA2 (0.48) PRSS1PRSS2PRSS3L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 US disclosed
CN-103664591-A Novel benzendiol derivative compound and cosmetic composition utilizing the same ACT CO LTD 2014-03-26 CN 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 PRSS1 3920/4885PRSS2 4716/4885PRSS3 4481/4885

“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.