SCHEMBL3434811

SCHEMBL3434811

O=C(OCCOc1ccccc1)c1ccc2cc(C(=O)OCCOc3ccccc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
RAB9A P51151 4/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PARP10 Q53GL7 1/20 0.56
THRB P10828 1/20 0.53
MMP1 P03956 1/20 0.52
MMP12 P39900 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 3/20 0.51

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
SCHEMBL19849802 0.95 PKM (0.63) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19844152 0.93 RAB9A (0.54) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3434351 0.90 RAB9A (0.69) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3434885 0.88 RAB9A (0.58) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL27691343 0.86 HRH3 (0.64) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2853034 0.86 TDP1 (0.66) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10723995 0.86 ESR1 (0.60) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL25694627 0.85 HRH3 (0.48) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11323600 0.85 PKM (0.77) PKMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL18538485 0.84 MAPT (0.55) PKMRAB9AMAPTNPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957223-B2 Bis(aryloxyalkyl) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS LLC (US) 2018-05-01 US disclosed
US-9957223-B2 Bis(aryloxyalkyl) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS LLC (US) 2018-05-01 US disclosed
US-20180037535-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION FIRST NATIONAL BANK OF PENNSYLVANIA 2018-02-08 US disclosed
US-20180037535-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION FIRST NATIONAL BANK OF PENNSYLVANIA 2018-02-08 US disclosed
US-20120100323-A1 Novel bis(ARYLOXYALKYL) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS, LLC 2012-04-26 US disclosed
US-20120100323-A1 Novel bis(ARYLOXYALKYL) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS, LLC 2012-04-26 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 (2 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-20180037535-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION AHR, AR, ARNT PKM 2688/4885RAB9A 3399/4885MAPT 4091/4885
US-20120100323-A1 Novel bis(ARYLOXYALKYL) esters of aromatic polycarboxylic acids and method of preparation AHR, AR, ARNT PKM 2688/4885RAB9A 3399/4885MAPT 4091/4885

“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.