SCHEMBL6707569

SCHEMBL6707569

CC=CCOc1ccc(Cl)cc1I

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.38
S1PR4 O95977 4/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C3 P42330 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL23921705 0.79 GAA (0.58) TSHRGAAS1PR4HPGDMEN1
SCHEMBL1254298 0.75 TAAR1 (0.35) TSHRGAAHPGDMAPTMEN1
SCHEMBL1254297 0.75 TAAR1 (0.35) TSHRGAAHPGDMAPTMEN1
SCHEMBL8227263 0.75 ALDH1A1 (0.43) TSHRGAAHPGDMAPTMEN1
SCHEMBL724223 0.74 S1PR4 (0.46) TSHRS1PR4HPGDMAPTCYP1A2
SCHEMBL22135563 0.74 S1PR4 (0.46) TSHRS1PR4HPGDMAPTCYP1A2
SCHEMBL17226521 0.73 S1PR4 (0.40) S1PR4AKR1C3
SCHEMBL14028924 0.72 L3MBTL1 (0.49) TSHRGAAS1PR4HPGDMAPT
SCHEMBL4069141 0.72 KDM1A (0.54) GAAMAPTTP53ALDH1A1SCN4A
SCHEMBL3902051 0.72 S1PR4 (0.44) TSHRS1PR4HPGDMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 PFIZER INC 2004-10-07 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-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 TSHR 2465/4885GAA 940/4885S1PR4 1006/4885

“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.