SCHEMBL3854819

SCHEMBL3854819

CCCC[Sn](CCCC)(CCCC)c1ccccc1C(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.38
NAAA Q02083 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ASAH1 Q13510 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
AOC3 Q16853 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL1451955 0.78 GABRA1 (0.36) LMNA
SCHEMBL586358 0.72 CYSLTR2 (0.48) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL11202895 0.71 TSHR (0.39) MEN1MAPTKMT2ALMNANAAA
SCHEMBL1839511 0.69 TSHR (0.47) MEN1CYP2C9KMT2ALMNAGAA
SCHEMBL7809671 0.69 MEN1 (0.63) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL1453183 0.69 TSHR (0.36) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL5608024 0.68 SOAT1 (0.37) LMNA
SCHEMBL3848205 0.67 RECQL (0.36) MEN1KMT2AALDH1A1
SCHEMBL3227093 0.67 CYP1A2 (0.44) CYP2C9ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL31558464 0.67 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572927-B2 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2009-08-11 US disclosed
US-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2008-08-14 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-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound DDT, OXER1, OSTC MEN1 1109/4885MAPT 2666/4885CYP2C9 1386/4885

“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.