SCHEMBL2229353

SCHEMBL2229353

Ic1ccccc1-c1ccc2c(c1-c1ccccc1I)Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
PNMT P11086 1/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAP3K9 P80192 1/20 0.35
MAP3K11 Q16584 1/20 0.35
HTR7 P34969 2/20 0.35
HTR2B P41595 2/20 0.35
SRD5A2 P31213 1/20 0.34

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
SCHEMBL30163133 0.81 PNMT (0.52) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL7930811 0.79 PNMT (0.53) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL30485506 0.79 PNMT (0.53) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL2292649 0.77 NPC1 (0.36) PGRPNMTNPC1RAB9ABCHE
SCHEMBL5497779 0.76 PNMT (0.43) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL22263591 0.76 PNMT (0.57) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL7930923 0.76 PNMT (0.46) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL5160246 0.75 ALDH1A1 (0.46) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL9126221 0.75 PGR (0.42) PGRPNMTNPC1RAB9AALDH1A1
SCHEMBL442712 0.75 PNMT (0.46) PGRPNMTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059725-B2 Compound having triphenylsilyl group and triarylamine structure, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2018-08-28 US disclosed
US-20110220881-A1 COMPOUND HAVING TRIPHENYLSILYL GROUP AND TRIARYLAMINE STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351760-A1 COMPOUND HAVING TRIPHENYLSILYL GROUP AND TRIARYLAMINE STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2011-08-03 EP 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 (2 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-10059725-B2 Compound having triphenylsilyl group and triarylamine structure, and organic electroluminescent device TEC, LRRK2, LAGE3 PGR 3330/4885PNMT 59/4885NPC1 2683/4885
US-20110220881-A1 COMPOUND HAVING TRIPHENYLSILYL GROUP AND TRIARYLAMINE STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE TEC, LRRK2, LAGE3 PGR 3330/4885PNMT 59/4885NPC1 2683/4885

“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.