SCHEMBL21141018

SCHEMBL21141018

c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4ccccc34)cc1-c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21392623 0.96 SIGMAR1 (0.35) PDK2SIGMAR1ALDH1A1HPGDTSHR
SCHEMBL20762839 0.95 PDK2 (0.33) PDK2SIGMAR1
SCHEMBL19165668 0.93 SIGMAR1 (0.35) PDK2SIGMAR1ALDH1A1HPGDTSHR
SCHEMBL19165443 0.93 SIGMAR1 (0.35) PDK2SIGMAR1ALDH1A1HPGDTSHR
SCHEMBL19167386 0.93 SIGMAR1 (0.35) PDK2SIGMAR1ALDH1A1HPGDTSHR
SCHEMBL23597862 0.93 SIGMAR1 (0.35) PDK2SIGMAR1ALDH1A1HPGDTSHR
SCHEMBL808072 0.93 SIGMAR1 (0.35) PDK2SIGMAR1ALDH1A1HPGDTSHR
SCHEMBL21141477 0.92 KDM4E (0.34) PDK2SIGMAR1
SCHEMBL19168676 0.92 SIGMAR1 (0.33) PDK2SIGMAR1
SCHEMBL23155331 0.92 DNMT1 (0.33) PDK2SIGMAR1

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
US-11512038-B2 Tetraphenylene triarylamine compounds Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-11-29 US disclosed
US-20190185412-A1 TETRAPHENYLENE TRIARYLAMINE COMPOUNDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-06-20 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 (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-11512038-B2 Tetraphenylene triarylamine compounds OCIAD2, OCIAD1, SLC7A5 PDK2 2504/4885SIGMAR1 2169/4885ALDH1A1 2637/4885
US-20190185412-A1 TETRAPHENYLENE TRIARYLAMINE COMPOUNDS OCIAD2, OCIAD1, SLC7A5 PDK2 2504/4885SIGMAR1 2169/4885ALDH1A1 2637/4885

“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.