SCHEMBL22186748

SCHEMBL22186748

C/C=c1\c(=C/C)n(I)c2ccc3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2A6 P11509 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPRT1 P00492 1/20 0.31
▸ SLC2A1 P11166 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
SCHEMBL19831358 0.75 HSD17B10 (0.48) TSHRHSD17B10CYP3A4HPGDMAPK1
SCHEMBL19041702 0.73 TSHR (0.31) TSHRHSD17B10CYP3A4HPGDMAPK1
SCHEMBL18435854 0.71 HSD17B10 (0.42) TSHRHSD17B10CYP3A4HPGDMAPK1
SCHEMBL19774619 0.70 GPR3 (0.31) —
SCHEMBL19545505 0.69 — —
SCHEMBL23468713 0.67 HSD17B10 (0.42) TSHRHSD17B10CYP3A4HPGDMAPK1
SCHEMBL19832049 0.67 HSD17B10 (0.42) TSHRHSD17B10CYP3A4HPGDMAPK1
SCHEMBL21019486 0.65 KDM4E (0.43) TSHRHSD17B10CYP3A4HPGDMAPK1
SCHEMBL21779719 0.65 GPR3 (0.31) —
SCHEMBL30772964 0.64 GPR3 (0.52) TSHRHSD17B10CYP3A4HPGDMAPK1

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-20200212310-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-07-02 — — 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-20200212310-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOD1, TRPA1, LPO TSHR 4849/4885HSD17B10 2762/4885CYP3A4 879/4885

“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.

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