SCHEMBL17138172

SCHEMBL17138172

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL17138144 0.81 ALDH1A1 (0.51) ACHEMEN1KMT2AELANELMNA
SCHEMBL18321317 0.80 MTNR1B (0.46) MEN1KMT2ALMNA
SCHEMBL17138194 0.77 ELANE (0.66) ACHEMEN1KMT2AELANELMNA
SCHEMBL29250068 0.76 OGG1 (0.46) KMT2AALDH1A1KDM4ESMN1; SMN2FAAH
SCHEMBL17138130 0.75 KMT2A (0.46) ACHEMEN1KMT2ALMNACYP3A4
SCHEMBL28313644 0.73 ELANE (0.42) MEN1KMT2AELANELMNAALDH1A1
SCHEMBL19942072 0.72 KMT2A (0.43) ACHEMEN1KMT2ALMNACYP3A4
SCHEMBL17138222 0.71 KMT2A (0.46) ACHEMEN1KMT2ALMNACYP3A4
SCHEMBL17138164 0.71 KMT2A (0.46) ACHEMEN1KMT2ALMNACYP3A4
SCHEMBL10782553 0.71 ACHE (0.71) ACHEMEN1KMT2AELANELMNA

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 1 patent. 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

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 ACHE 2498/4885MEN1 4684/4885KMT2A 580/4885

“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.