SCHEMBL12129696

SCHEMBL12129696

Cc1cc(-c2ccc(I)cc2)cc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
JAK2 O60674 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ACHE P22303 2/20 0.31
ESR1 P03372 1/20 0.31
APP P05067 1/20 0.31
MCL1 Q07820 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
METAP2 P50579 1/20 0.30
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL22872104 0.82 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4TDP1RAPGEF4
SCHEMBL22872154 0.79 TDP1 (0.44) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL9405162 0.78 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL1989297 0.78 ESR1 (0.47) ALDH1A1CYP3A4TDP1TP53CA1
SCHEMBL18950483 0.78 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL20796148 0.77 RXRA (0.50) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL10068159 0.77 ACHE (0.42) TDP1RAPGEF4ACHEESR1MCL1
SCHEMBL22521959 0.76 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL13878995 0.75 AHR (0.52) TSHRALDH1A1CYP3A4TDP1CYP1A2
SCHEMBL28148470 0.75 ESR1 (0.62) CA1CA2HSD17B1HSD17B2ACHE

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
EP-2647655-A1 HIGH MOLECULAR COMPOUND, METHOD FOR PRODUCING SAME, AND LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2013-10-09 EP disclosed
US-20110272686-A1 METAPHENYLENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 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-20110272686-A1 METAPHENYLENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME ARL1, MLLT1, CRY1 TSHR 2654/4885ALDH1A1 562/4885CYP3A4 1925/4885

“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.