SCHEMBL10033199

SCHEMBL10033199

Cc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(I)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
APP P05067 2/20 0.36
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 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
SCHEMBL13701491 1.00 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL3092338 0.89 CYP2A6 (0.42) ALDH1A1APPTDP1CYP2A6CA1
SCHEMBL3079657 0.89 CYP2A6 (0.42) ALDH1A1APPTDP1CYP2A6CA1
SCHEMBL452831 0.89 ALDH1A1 (0.68) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL469946 0.89 TSHR (0.55) ALDH1A1TSHRAPPACHETDP1
SCHEMBL470004 0.83 TSHR (0.48) ALDH1A1TSHRCYP2C19APPACHE
SCHEMBL4754769 0.83 TSHR (0.48) ALDH1A1TSHRCYP2C19APPACHE
SCHEMBL24871316 0.81 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL23661307 0.81 TSHR (0.46) ALDH1A1TSHRKMT2AMEN1CYP3A4
SCHEMBL16509905 0.81 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMEN1CYP1A2

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
WO-2012032211-A1 DENDRITIC STRUCTURES BASED ON TETRAARYLMETHANE UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2012-03-15 WO disclosed
US-20090227812-A1 TETRAPHENYLMETHANE SKELETON-CONTAINING COMPOUND FUJIFILM CORPORATION (JP) 2009-09-10 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-20090227812-A1 TETRAPHENYLMETHANE SKELETON-CONTAINING COMPOUND PAH, TSNAX, ZFX ALDH1A1 4467/4885TSHR 2120/4885KMT2A 1393/4885

“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.