SCHEMBL17138134

SCHEMBL17138134

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 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
SCHEMBL17138201 0.95 PRSS1 (0.43) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL17138165 0.90 TSHR (0.44) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL1537155 0.89 CA2 (0.48) L3MBTL1ATMALDH1A1CA2CYP3A4
SCHEMBL26566774 0.84 LMNA (0.50) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL2291004 0.84 PRSS1 (0.48) L3MBTL1ATMALDH1A1CA2CYP3A4
SCHEMBL17138193 0.83 KMT2A (0.47) L3MBTL1ATMALDH1A1CYP3A4TSHR
SCHEMBL2294692 0.83 PRSS1 (0.50) L3MBTL1ALDH1A1TSHRTDP1KMT2A
SCHEMBL1900961 0.83 PRSS1 (0.50) L3MBTL1ALDH1A1TSHRTDP1KMT2A
SCHEMBL11699133 0.83 PRSS1 (0.50) L3MBTL1ALDH1A1TSHRTDP1KMT2A
SCHEMBL2294967 0.83 PRSS1 (0.50) L3MBTL1ALDH1A1TSHRTDP1KMT2A

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 L3MBTL1 2433/4885GAA 4138/4885XBP1 3610/4885

“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.