SCHEMBL17138193

SCHEMBL17138193

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.46
ACHE P22303 3/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 1/20 0.43
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MTNR1A P48039 3/20 0.40

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
SCHEMBL2742146 0.90 CYP3A4 (0.57) LMNAACHEFAAHBCHECYP3A4
SCHEMBL27642271 0.89 CYP3A4 (0.49) KMT2AMEN1LMNAACHEFAAH
SCHEMBL27478666 0.89 HPGD (0.45) KMT2AMEN1LMNAACHEFAAH
SCHEMBL27552377 0.89 KDM4E (0.50) KMT2ALMNAPOLBMAPTALDH1A1
SCHEMBL25519402 0.89 LMNA (0.40) KMT2AMEN1LMNAACHEFAAH
SCHEMBL28376511 0.88 GPR139 (0.42)
SCHEMBL825491 0.88 KMT2A (0.53) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL825480 0.87 RXRA (0.52) MAPT
SCHEMBL14998124 0.87 KMT2A (0.55) KMT2APOLBMAPTSMN1; SMN2
SCHEMBL14996055 0.87 ELANE (0.50) KMT2AMEN1LMNAFAAHPOLB

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 KMT2A 580/4885MEN1 4684/4885LMNA 1443/4885

“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.