SCHEMBL21998709

SCHEMBL21998709

Cc1ccc(N(c2ccc(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)(C)C)cc7)cc6)s5)c5nsnc45)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.33
▸ HSD17B1 P14061 3/20 0.33
▸ HSD17B2 P37059 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ NOD1 Q9Y239 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
SCHEMBL21931866 0.90 TDP1 (0.35) APPALDH1A1HSD17B1HSD17B2TSHR
SCHEMBL21931871 0.87 TSHR (0.34) APPALDH1A1HSD17B1HSD17B2HPGD
SCHEMBL21931872 0.82 APP (0.34) APPALDH1A1HSD17B1HSD17B2HPGD
SCHEMBL13197643 0.77 TSHR (0.43) APPALDH1A1HSD17B1HSD17B2HPGD
SCHEMBL13197642 0.77 TSHR (0.46) APPALDH1A1HSD17B1HSD17B2HPGD
SCHEMBL13197616 0.76 TSHR (0.42) APPALDH1A1HSD17B1HSD17B2HPGD
SCHEMBL13197653 0.76 TSHR (0.44) APPALDH1A1HSD17B1HSD17B2HPGD
SCHEMBL13125840 0.75 APP (0.54) APPHSD17B1HSD17B2ALOX5RAB9A
SCHEMBL10109359 0.74 APP (0.56) APPALDH1A1HSD17B1HSD17B2ALOX5
SCHEMBL17051482 0.74 APP (0.56) APPALDH1A1HSD17B1HSD17B2ALOX5

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-20200147078-A1 THERANOSTIC AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-05-14 — — 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-20200147078-A1 THERANOSTIC AGENTS FAP, MKI67, PAIP1 APP 613/4885ALDH1A1 1066/4885HSD17B1 4679/4885

“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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