SCHEMBL20809123

SCHEMBL20809123

Cc1cccc(-c2ccc3cc(CC(C)C)ccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
DHODH Q02127 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MET P08581 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KMO O15229 1/20 0.37
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
MAP4K4 O95819 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL20809319 0.90 CTSS (0.40) CTSSCTSKDHODHHTR2AHTR2C
SCHEMBL19389194 0.87 DHODH (0.38) ITGB1ITGAVDHODHHTR2AHTR2C
SCHEMBL20809122 0.86 DHODH (0.50) ITGB1ITGAVDHODHHTR2AHTR2C
SCHEMBL26836406 0.82 HTR2A (0.49) DHODHHTR2AHTR2CHTR2BBCHE
SCHEMBL20809065 0.81 GRM2 (0.43) CTSSCTSKMETBCHEACHE
SCHEMBL3296780 0.81 CYP1A2 (0.53) BCHEACHEKMOIDO1METAP2
SCHEMBL4445412 0.79 NPC1 (0.48) CTSSCTSKDHODHHTR2AHTR2C
SCHEMBL20809135 0.78 KCNH2 (0.39) CTSSCTSKMETBCHEACHE
SCHEMBL4436058 0.77 DHODH (0.39) CTSSCTSKDHODHHTR2AHTR2C
SCHEMBL29128979 0.77 XDH (0.41) BCHEACHEKMOIDO1METAP2

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-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-03-23 US disclosed
US-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-04-04 US disclosed
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-03-14 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 (3 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-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS ACAT1, ACACA, ACAT2 ITGB1 868/4885ITGAV 470/4885CTSS 836/4885
US-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands ACAT1, ACACA, ACAT2 ITGB1 868/4885ITGAV 470/4885CTSS 836/4885
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS FOXO1, NAA15, FOXK1 ITGB1 241/4885ITGAV 101/4885CTSS 2104/4885

“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.