SCHEMBL12588930

SCHEMBL12588930

CCN(CC)p1oc2ccc3ccccc3c2c2c(o1)c(COCc1cc3ccccc3c3c1op(N(CC)CC)oc1ccc4ccccc4c13)cc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HNF4A P41235 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
SCHEMBL12588926 0.89 KMT2A (0.35) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL12588934 0.86 KDM4E (0.33) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL2635017 0.83 HNF4A (0.40) KMT2AMAPTTSHRKDM4EALDH1A1
SCHEMBL12588944 0.76 KDM4E (0.33) KDM4E
SCHEMBL17797152 0.74 ABCG2 (0.37) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL17797149 0.74 AHR (0.37) KMT2AMAPTHNF4A
SCHEMBL14382011 0.72 KDM4E (0.34) KMT2AMAPTTSHRKDM4EALDH1A1
SCHEMBL17797151 0.72 ABCG2 (0.35) KMT2AMAPTALDH1A1NPSR1HNF4A
SCHEMBL11988006 0.70 ALDH1A1 (0.35) KMT2AMAPTTSHRKDM4EALDH1A1
SCHEMBL26935816 0.69 CYP1A2 (0.31) KMT2AMAPTKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964743-B2 Catalyst for asymmetric synthesis, ligand for use therein, and process for producing optically active compound through asymmetric synthesis reaction using them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-06-21 — — US disclosed
US-7964743-B2 Catalyst for asymmetric synthesis, ligand for use therein, and process for producing optically active compound through asymmetric synthesis reaction using them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-06-21 — — US disclosed
US-20090156849-A1 Catalyst for Asymmetric Synthesis, Ligand for Use Therein, and Process for Producing Optically Active Compound through Asymmetric Synthesis Reaction Using Them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-18 — — US disclosed
US-20090156849-A1 Catalyst for Asymmetric Synthesis, Ligand for Use Therein, and Process for Producing Optically Active Compound through Asymmetric Synthesis Reaction Using Them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-18 — — US disclosed
EP-1854802-A1 CATALYST FOR ASYMMETRIC SYNTHESIS, LIGAND FOR USE THEREIN, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND THROUGH ASYMMETRIC SYNTHESIS REACTION USING THEM Japan Science and Technology Agency (JP) 2007-11-14 — — EP 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-20090156849-A1 Catalyst for Asymmetric Synthesis, Ligand for Use Therein, and Process for Producing Optically Active Compound through Asymmetric Synthesis Reaction Using Them ME1, ATIC, ADH1A KMT2A 3016/4885MAPT 4330/4885TSHR 1637/4885

“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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