SCHEMBL17138165

SCHEMBL17138165

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 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
SCHEMBL26566774 0.94 LMNA (0.50) TSHRHSD17B10MEN1KMT2AKDM4E
SCHEMBL17138134 0.90 L3MBTL1 (0.46) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL8644335 0.89 ALDH1A1 (0.46) TSHRHSD17B10MEN1KMT2AKDM4E
SCHEMBL17138201 0.89 PRSS1 (0.43) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL1794534 0.88 KDM4E (0.48) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL17055505 0.88 KDM4E (0.48) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL17138193 0.86 KMT2A (0.47) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL17882061 0.79 LMNA (0.48) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL20138640 0.79 ESR1 (0.44) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL28241122 0.79 HDAC3 (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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 TSHR 4026/4885HSD17B10 295/4885MEN1 4684/4885

“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.