SCHEMBL12844796

SCHEMBL12844796

CCC(C(=O)Oc1ccccc1)c1ccc(I)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
ATM Q13315 1/20 0.40
FAAH O00519 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
FFAR1 O14842 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTT P42858 1/20 0.37
P4HTM Q9NXG6 1/20 0.36
GAA P10253 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1747692 0.84 AKR1C3 (0.44) L3MBTL1ATMFAAHTDP1FFAR1
SCHEMBL155788 0.80 L3MBTL1 (0.56) L3MBTL1ATMTDP1KDM4EMAPT
SCHEMBL19182818 0.80 L3MBTL1 (0.56) L3MBTL1ATMTDP1KDM4EMAPT
Formaldehyde SCHEMBL27761906 0.77 L3MBTL1 (0.53) L3MBTL1ATMTDP1KDM4EMAPT
SCHEMBL28465915 0.76 KDM4E (0.46) L3MBTL1ATMFAAHTDP1KDM4E
SCHEMBL28465913 0.76 KDM4E (0.46) L3MBTL1ATMFAAHTDP1KDM4E
SCHEMBL12844892 0.71 GAA (0.31) P4HTMGAATHRB
SCHEMBL16868808 0.71 TSHR (0.52) L3MBTL1TDP1KDM4EGAA
Methane SCHEMBL7344826 0.70 L3MBTL1 (0.46) L3MBTL1ATMTDP1KDM4EMAPT
1-Hexanol SCHEMBL28322313 0.69 L3MBTL1 (0.45) L3MBTL1ATMFAAHTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 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-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE L3MBTL1 227/4885ATM 4101/4885FAAH 750/4885

“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.