SCHEMBL21348992

SCHEMBL21348992

Cc1cc(-c2ccccc2)c(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
PSMB5 P28074 2/20 0.36
METAP2 P50579 1/20 0.36
NPY5R Q15761 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NUDT1 P36639 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL28322849 0.78 CSNK2A1 (0.38) ROCK2ALDH1A1MEN1KMT2ALMNA
SCHEMBL26556079 0.76 ROCK2 (0.37) ROCK2PSMB5NPC1RAB9A
SCHEMBL2274451 0.76 ROCK2 (0.46) ROCK2ALDH1A1
SCHEMBL30733666 0.76 ROCK2 (0.46) ROCK2ALDH1A1
SCHEMBL30670217 0.74 HPGD (0.41) ROCK2NPY5RALDH1A1MEN1KMT2A
SCHEMBL1790973 0.74 ALDH1A1 (0.37) ROCK2ALDH1A1MEN1KMT2ALMNA
SCHEMBL28540908 0.73 S1PR1 (0.36) ROCK2NPC1RAB9A
SCHEMBL301559 0.73 TAS1R3 (0.40) ROCK2PSMB5ALDH1A1MEN1KMT2A
SCHEMBL381945 0.73 CD274 (0.40) ROCK2ALDH1A1MEN1KMT2ALMNA
SCHEMBL29778140 0.73 CYP2A6 (0.48) ROCK2ALDH1A1MEN1KMT2ALMNA

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-11787827-B2 Triaryl phosphine ligands, preparation method therefor, and use in catalyzing coupling reactions DONGGUAN STEPHEN CATALYST CO., LTD. (CN) 2023-10-17 US disclosed
WO-2019170163-A1 TRIARYL PHOSPHINE LIGANDS, PREPARATION METHOD THEREFOR, AND USE IN CATALYSING COUPLING REACTIONS 东莞市均成高新材料有限公司 2019-09-12 WO 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-11787827-B2 Triaryl phosphine ligands, preparation method therefor, and use in catalyzing coupling reactions WEE1, WEE2, NOTUM ROCK2 3615/4885PSMB5 3356/4885METAP2 1797/4885

“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.