SCHEMBL12588944

SCHEMBL12588944

c1ccc(Op2oc3ccc4ccccc4c3c3c(o2)c(COCc2cc4ccccc4c4c2op(Oc2ccccc2)oc2ccc5ccccc5c24)cc2ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ FYN P06241 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL31522128 0.83 ABCG2 (0.39) KDM4ECYP1A1CYP1A2ABCG2FYN
SCHEMBL31522126 0.83 ABCG2 (0.39) KDM4ECYP1A1CYP1A2ABCG2FYN
SCHEMBL31522127 0.83 ABCG2 (0.39) KDM4ECYP1A1CYP1A2ABCG2FYN
SCHEMBL4625191 0.83 ABCG2 (0.39) KDM4ECYP1A1CYP1A2ABCG2FYN
SCHEMBL12588926 0.78 KMT2A (0.35) KDM4EABCG2AHRPAX8NPC1
SCHEMBL12588930 0.76 KMT2A (0.34) KDM4E
SCHEMBL12588934 0.76 KDM4E (0.33) KDM4E
SCHEMBL14382011 0.73 KDM4E (0.34) KDM4ECYP1A1CYP1A2ABCG2FYN
SCHEMBL18660109 0.72 HSD17B10 (0.37) KDM4ECYP1A1CYP1A2ABCG2FYN
SCHEMBL14016888 0.69 CNR2 (0.34) KDM4ECYP1A1CYP1A2ABCG2FYN

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 KDM4E 3842/4885CYP1A1 252/4885CYP1A2 433/4885

“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.

Send feedback