SCHEMBL3686388

SCHEMBL3686388

C=CCc1ccc2c(c1)COO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP1A2 P05177 1/20 0.53
XDH P47989 1/20 0.42
ALDH1A1 P00352 6/20 0.41
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.41
CNR2 P34972 3/20 0.41
KMT2A Q03164 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH2 P05091 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARA Q07869 1/20 0.39

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
SCHEMBL11696212 0.77 CYP4F2 (0.38) CYP3A4GSK3B
SCHEMBL3047306 0.77 TAAR1 (0.34) GSK3B
SCHEMBL7979213 0.74 CNR1 (0.39) MAPTCYP3A4ALDH1A1CNR2CNR1
SCHEMBL11695329 0.74 KDM4E (0.41) MAPTALDH1A1GAAKDM4EALOX5
SCHEMBL11694951 0.73 GSK3B (0.31) GSK3B
SCHEMBL11700989 0.73 ALDH1A1 (0.37) ALDH1A1TP53
SCHEMBL11693754 0.72 HRH3 (0.39) ALDH1A1NPSR1PARP1TSHR
SCHEMBL11695006 0.72 GABRA1 (0.40) GABRA1GABRB2NPSR1
SCHEMBL11695911 0.72 IDH1 (0.42) ALDH1A1SMN1; SMN2LMNA
SCHEMBL1641530 0.71 CALM1 (0.35) MAPTCYP3A4ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320752-B2 Pesticidal ear tag Y-TEX CORPORATION (US) 2016-04-26 US disclosed
US-20130273134-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION 2013-10-17 US disclosed
US-8425925-B2 Pesticidal tag Y-TEX CORPORATION (US) 2013-04-23 US disclosed
EP-2173164-A1 PESTICIDAL EAR TAG Y-Tex Corporation (UA) 2010-04-14 EP disclosed
WO-2009005513-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION (US) 2009-01-08 WO disclosed
US-20090004236-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION 2009-01-01 US disclosed
EP-1048664-B1 Process for the synthesis of 5-alkybenzodioxoles ENDURA SPA (IT) 2002-11-13 EP disclosed
US-6252092-B1 CATALYTIC HYDROGENATION OF 4-ACYLPHENOL; ACETYLATION; REACTING WITH A LEWIS ACID; THEN HYDROGEN PEROXIDE; CYCLIZATION ENDURA S.P.A. (IT) 2001-06-26 US disclosed
EP-1048664-A3 Process for the synthesis of 5-allybenzodioxoles ENDURA S.p.A. (IT) 2001-03-21 EP disclosed
EP-1048664-A2 Process for the synthesis of 5-allybenzodioxoles ENDURA S.p.A. (IT) 2000-11-02 EP disclosed
EP-0002710-A1 Process for the preparation of 5-(oxiranylmethyl)-1.3-benzodioxole BAYER AG (DE) 1979-07-11 EP disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (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-20130273134-A1 PESTICIDAL EAR TAG ABAT, AADAC, BRDT MAPT 2575/4885CYP3A4 1931/4885CYP1A2 861/4885
US-20090004236-A1 PESTICIDAL EAR TAG TMPO, BRDT, AADAC MAPT 1959/4885CYP3A4 2192/4885CYP1A2 2217/4885

“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.