SCHEMBL3848205

SCHEMBL3848205

CCCC[Sn](CCCC)(CCCC)c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR7 P34969 2/20 0.31
TSHR P16473 1/20 0.31
F2R P25116 2/20 0.31

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
SCHEMBL23043273 0.80 CNR2 (0.36) ALDH1A1GRM2
SCHEMBL1453183 0.78 TSHR (0.36) RECQLALDH1A1MEN1KMT2ATSHR
SCHEMBL3227093 0.76 CYP1A2 (0.44) ALDH1A1
SCHEMBL7505763 0.76 SMN1; SMN2 (0.36) ALDH1A1GRM2MEN1KMT2A
SCHEMBL31558464 0.76 SMN1; SMN2 (0.36) ALDH1A1GRM2MEN1KMT2A
SCHEMBL11202895 0.76 TSHR (0.39) RECQLALDH1A1MEN1KMT2ATSHR
SCHEMBL2480474 0.74 SLC6A4 (0.38) ALDH1A1TAAR1MEN1KMT2ATSHR
SCHEMBL538626 0.73 RECQL (0.37) RECQLALDH1A1TAAR1GRM2MEN1
SCHEMBL5952904 0.73 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL1256860 0.73 CA1 (0.43) ALDH1A1TSHR

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 RECQL 2761/4885ALDH1A1 1259/4885TAAR1 3009/4885

“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.