SCHEMBL18372152

SCHEMBL18372152

S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c4ccc(-c5ccc(P(=S)(c6ccccc6)c6ccccc6)cc5)cc4c4ccccc4c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.40
▸ JAK2 O60674 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PLA2G4A P47712 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.32
▸ TOP1 P11387 1/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LCK P06239 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSP90AA1 P07900 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
SCHEMBL18372031 0.85 ESR1 (0.52) ESR1ESR2NPSR1ALDH1A1KDM4E
SCHEMBL18253836 0.84 LMNA (0.43) ESR1NPSR1JAK2ALOX5PLA2G2A
SCHEMBL18253835 0.84 LMNA (0.43) ESR1NPSR1JAK2ALOX5PLA2G2A
SCHEMBL18372113 0.84 LMNA (0.43) ESR1NPSR1JAK2ALOX5PLA2G2A
SCHEMBL18372159 0.84 LMNA (0.43) ESR1NPSR1JAK2ALOX5PLA2G2A
SCHEMBL4780784 0.82 ESR1 (0.64) ESR1ESR2NPSR1ALDH1A1LMNA
SCHEMBL17403814 0.82 ALDH1A1 (0.36) ESR1ESR2NPSR1JAK2MAP4K4
SCHEMBL1614546 0.80 ALDH1A1 (0.50) ESR1ESR2NPSR1JAK2ALOX5
SCHEMBL14479463 0.80 ALDH1A1 (0.50) ESR1ESR2NPSR1JAK2ALOX5
SCHEMBL18372154 0.80 PRMT5 (0.41) NPSR1JAK2ALOX5PLA2G2APLA2G4A

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-10211404-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-02-19 — — US disclosed
US-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-12 — — US disclosed
US-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-12 — — 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-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE PIEZO1, TERT, TPR ESR1 116/4885ESR2 355/4885NPSR1 4592/4885
US-10211404-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device PIEZO1, TERT, TPR ESR1 116/4885ESR2 355/4885NPSR1 4592/4885

“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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