SCHEMBL1384891

SCHEMBL1384891

CCCCc1ccc2c(c1C(=O)OCc1cccc(F)c1)Cc1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PKM P14618 1/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9849388 0.89 TDP1 (0.39) RAB9AMAPK1ALDH1A1CYP3A4TSHR
SCHEMBL1384404 0.86 KDM4E (0.41) KDM4EGAASTAT1RAB9AMMP1
SCHEMBL7189428 0.83 MAOA (0.36) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9849817 0.82 P2RX4 (0.37) RAB9AMAPK1ALDH1A1CYP3A4TSHR
SCHEMBL9849719 0.79 P2RX4 (0.39) RAB9AALDH1A1CYP3A4TSHRTDP1
SCHEMBL135629 0.78 BID (0.43) KDM4EMMP2MAPTMAOB
SCHEMBL1386760 0.76 PPARA (0.32) MAOB
SCHEMBL9869895 0.75 TRPA1 (0.40) KDM4EMAPTCYP1A2CYP2D6CYP2C19
Zinc Ion SCHEMBL180553 0.75 MAOA (0.37) MAPTMAOB
SCHEMBL639835 0.75 MAOA (0.37) MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4774505-B2 2011-09-14 JP claimed
EP-1373238-B1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL SCIENT IND RES (IN) 2004-11-03 EP claimed
EP-1373238-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-01-02 EP claimed
US-6583175-B2 Used as insect growth regulatory for pest management in agricultural fields no or less environmental impact COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-06-24 US claimed
US-20030022931-A1 ALKYLXANTHATES AND USE OF ALKYLXANTHATES IN THE INTEGRATED PEST MANAGEMENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-01-30 US claimed
WO-2002079179-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO claimed
EP-1373238-B1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL SCIENT IND RES (IN) 2004-11-03 EP disclosed
EP-1373238-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-01-02 EP disclosed
US-6583175-B2 Used as insect growth regulatory for pest management in agricultural fields no or less environmental impact COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-06-24 US disclosed
US-20030022931-A1 ALKYLXANTHATES AND USE OF ALKYLXANTHATES IN THE INTEGRATED PEST MANAGEMENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-01-30 US disclosed
WO-2002079179-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO 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-20030022931-A1 ALKYLXANTHATES AND USE OF ALKYLXANTHATES IN THE INTEGRATED PEST MANAGEMENT AGXT, HAX1, ANTXR2 KDM4E 1439/4885GAA 916/4885STAT1 3558/4885

“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.