SCHEMBL5700201

SCHEMBL5700201

COC1(P(c2ccccc2)c2ccccc2)C=Cc2ccccc2C1c1cccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.34
ERBB2 P04626 3/20 0.34
ERBB3 P21860 1/20 0.34
KDR P35968 1/20 0.34
PTK2 Q05397 1/20 0.34
HSD11B1 P28845 1/20 0.33
SLC6A4 P31645 2/20 0.33
DRD2 P14416 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RCE1 Q9Y256 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7667061 0.84 HSD11B1 (0.33) HSD11B1SLC6A4MEN1KMT2ARCE1
SCHEMBL1759000 0.80 EGFR (0.35) EGFRERBB2ERBB3KDRPTK2
SCHEMBL568314 0.80 EGFR (0.35) EGFRERBB2ERBB3KDRPTK2
SCHEMBL391322 0.80 EGFR (0.35) EGFRERBB2ERBB3KDRPTK2
SCHEMBL20597643 0.79 HSD11B1 (0.37) EGFRERBB2ERBB3KDRPTK2
SCHEMBL1680560 0.74 EGFR (0.39) EGFRERBB2HSD11B1SLC6A4DRD2
SCHEMBL7775994 0.74 KDM1A (0.38) EGFRERBB2HSD11B1SLC6A4DRD2
SCHEMBL11614041 0.74 KDM1A (0.38) HSD11B1SLC6A4DRD2MEN1KMT2A
SCHEMBL5248281 0.74 KDM1A (0.38) HSD11B1SLC6A4DRD2MEN1KMT2A
SCHEMBL9985983 0.73 EGFR (0.36) EGFRERBB2SLC6A4DRD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447464-A Method for producing optically active compound 首日生物制药公司 2024-01-26 CN disclosed
CN-111032047-B Method for producing optically active compound 多特疗法-1公司 2023-10-27 CN disclosed
CN-111032047-A Process for producing optically active compound 千年制药公司 2020-04-17 CN disclosed
EP-1146037-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO (JP) 2006-06-21 EP disclosed
EP-1532094-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS, ESPECIALLY OLEFINS, IN THE PRESENCE OF CYCLIC CARBONIC ACID ESTERS Oxeno Olefinchemie GmbH (DE) 2005-05-25 EP disclosed
US-6878663-B2 Method for producing palladium complex compound CENTRAL GLASS COMPANY, LIMITED (JP) 2005-04-12 US disclosed
WO-2004020380-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS, ESPECIALLY OLEFINS, IN THE PRESENCE OF CYCLIC CARBONIC ACID ESTERS OXENO OLEFINCHEMIE GMBH (DE) 2004-03-11 WO disclosed
US-20020111482-A1 Method for producing palladium complex compound CENTRAL GLASS COMPANY, LIMITED 2002-08-15 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-20020111482-A1 Method for producing palladium complex compound PDCD1LG2, CD274, PDCD1 EGFR 217/4885ERBB2 201/4885ERBB3 1038/4885

“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.