SCHEMBL1395658

SCHEMBL1395658

CCCCOCCOCCOCc1cc2c(cc1O)OCO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.72
TSHR P16473 2/20 0.72
ALDH1A1 P00352 2/20 0.72
HPGD P15428 4/20 0.47
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 3/20 0.35
TYR P14679 1/20 0.35
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8850967 0.89 ALDH1A1 (0.88) CYP3A4TSHRALDH1A1HPGDRAB9A
Piperonyl Butoxide SCHEMBL29386186 0.84 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HPGDRAB9A
SCHEMBL11699567 0.84 ALDH1A1 (0.74) CYP3A4TSHRALDH1A1HPGDRAB9A
SCHEMBL11865373 0.84 ALDH1A1 (0.89) CYP3A4TSHRALDH1A1HPGDRAB9A
SCHEMBL9958244 0.84 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HPGDRAB9A
Piperonyl Butoxide SCHEMBL6561910 0.84 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HPGDRAB9A
Piperonyl Butoxide SCHEMBL1517385 0.84 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HPGDRAB9A
Piperonyl Butoxide SCHEMBL5490 0.84 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HPGDRAB9A
Piperonyl Butoxide SCHEMBL3290495 0.83 CYP3A4 (0.92) CYP3A4TSHRALDH1A1HPGDRAB9A
Piperonyl Butoxide SCHEMBL9155914 0.82 CYP3A4 (0.97) CYP3A4TSHRALDH1A1HPGDRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467020-B1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ENDURA SPA (IT) 2014-09-24 EP disclosed
US-8809389-B2 Substituted alkynyl phenoxy compounds as new synergists in pesticidal compositions ENDURA S.P.A. (IT) 2014-08-19 US disclosed
US-20120208874-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ROTHAMSTED RESEARCH LTD. 2012-08-16 US disclosed
EP-2289889-A1 Substituted alkynyl phenoxy compounds and their uses Endura S.p.a. (IT) 2011-03-02 EP 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-20120208874-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS DDT, PYM1, CHRM1 CYP3A4 340/4885TSHR 1145/4885ALDH1A1 2093/4885

“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.