SCHEMBL20567297

SCHEMBL20567297

CN(c1cc(-c2ccc3ccccc3c2)cc2c1cc(-c1ccc3ccccc3c1)c1o[pH]oc3ccc4ccccc4c3c12)c1cc(-c2ccc3ccccc3c2)cc2c1cc(-c1ccc3ccccc3c1)c1o[pH]oc3ccc4ccccc4c3c12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL1148375 0.73 MCL1 (0.35) ABCG2KDM4EMEN1ALDH1A1MAPT
SCHEMBL18472173 0.68 ABCG2 (0.43) ABCG2MEN1MAPTKMT2A
SCHEMBL6316182 0.68 HSD17B10 (0.46) ABCG2KDM4EMEN1ALDH1A1POLB
SCHEMBL29463989 0.68 HSD17B10 (0.46) ABCG2KDM4EMEN1ALDH1A1POLB
SCHEMBL18718011 0.65 GPR84 (0.44) ABCG2KDM4EMEN1ALDH1A1MAPT
SCHEMBL20480431 0.65 MCL1 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL18717983 0.64 GPR84 (0.43) ABCG2KDM4EMEN1ALDH1A1MAPT
SCHEMBL19080106 0.63 CYP1A1 (0.41) ABCG2
SCHEMBL12037338 0.63 GSTP1 (0.41) ABCG2KDM4EMEN1ALDH1A1ESR1
SCHEMBL9889871 0.63 PGR (0.42) ABCG2KDM4EMEN1ALDH1A1ESR1

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-11084834-B2 Chiral phosphoramidimidates and derivatives thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-08-10 — — US disclosed
US-20180339999-A1 CHIRAL PHOSPHORAMIDIMIDATES AND DERIVATIVES THEREOF STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-11-29 — — 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-20180339999-A1 CHIRAL PHOSPHORAMIDIMIDATES AND DERIVATIVES THEREOF PLCB3, PIN1, PLCD1 ABCG2 2516/4885KDM4E 4152/4885MEN1 1591/4885
US-11084834-B2 Chiral phosphoramidimidates and derivatives thereof PLCB3, PIN1, PLCD1 ABCG2 2516/4885KDM4E 4152/4885MEN1 1591/4885

“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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