SCHEMBL505809

SCHEMBL505809

OCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 2/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.32
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL23779954 0.97 TDP1 (0.39) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL9518542 0.97 TDP1 (0.39) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL684881 0.85 TDP1 (0.38) TDP1CYP3A4TSHRESR1ESR2
Ethylene Glycol SCHEMBL7950018 0.85 TDP1 (0.38) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11343369 0.83 TDP1 (0.36) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL27343 0.83 CYP3A4 (0.50) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11343073 0.81 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11336836 0.81 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11336348 0.81 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2
SCHEMBL11333065 0.81 KCNH3 (0.35) TDP1CYP3A4TSHRESR1ESR2

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102388014-A Synthesis method of chiral alpha-aryl propionic acid derivative DSM IP ASSETS BV 2012-03-21 CN claimed
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US claimed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP claimed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO claimed
CN-1686972-A Cross couple method for synthesizing compound of liquid crystal from 2-2 phenyl phosphine ethanol through palladium catalysis UNIV DALIAN TECH (CN) 2005-10-26 CN claimed
EP-0327743-B1 PROCEDURE FOR MANUFACTURING SHORT-CHAIN LINEAR ALPHA- OLEFINES FROM ETHYLENE NESTE OY (FI) 1993-01-20 EP claimed
EP-0327743-A1 Procedure for manufacturing short-chain linear alpha- olefines from ethylene NESTE OY (FI) 1989-08-16 EP claimed
US-4816610-A CATALYTIC DIMERIZATION NESTE OY (FI) 1989-03-28 US claimed
US-12110307-B2 Self-immolative systems THE SECRETARY OF STATE FOR DEFENCE (GB) 2024-10-08 US disclosed
CN-117720472-A Benzimidazole compound, and preparation method and application thereof 苏州沪云新药研发股份有限公司 2024-03-19 CN disclosed
US-20210340166-A1 SELF-IMMOLATIVE SYSTEMS THE SECRETARY OF STATE FOR DEFENCE (GB) 2021-11-04 US disclosed
EP-3873914-A1 SELF-IMMOLATIVE SYSTEMS The Secretary of State for Defence (GB) 2021-09-08 EP disclosed
EP-3766981-A1 CATIONIC POLOXAMERS AND THEIR USE IN TRANSDUCTION OZ Biosciences (FR) 2021-01-20 EP disclosed
CN-103664898-B Organo-metallic compound and organic light emitting apparatus comprising it 三星显示有限公司 2019-03-12 CN disclosed
WO-1998025939-A1 CIS-BRIDGED METAL COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
EP-0327743-B1 PROCEDURE FOR MANUFACTURING SHORT-CHAIN LINEAR ALPHA- OLEFINES FROM ETHYLENE NESTE OY (FI) 1993-01-20 EP disclosed
EP-0327743-A1 Procedure for manufacturing short-chain linear alpha- olefines from ethylene NESTE OY (FI) 1989-08-16 EP disclosed
EP-0327743-A1 Procedure for manufacturing short-chain linear alpha- olefines from ethylene NESTE OY (FI) 1989-08-16 EP disclosed
US-4816610-A CATALYTIC DIMERIZATION NESTE OY (FI) 1989-03-28 US disclosed
US-4296042-A Preparation of unsaturated aliphatic insect pheromones using cyclic phosphonium ylids SYNTEX (U.S.A.) INC. (US) 1981-10-20 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 (3 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-20210340166-A1 SELF-IMMOLATIVE SYSTEMS MCL1, BCL3, BAP1 TDP1 299/4885CYP3A4 1739/4885TSHR 1267/4885
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 TDP1 4606/4885CYP3A4 246/4885TSHR 1136/4885
US-12110307-B2 Self-immolative systems MCL1, BCL3, BAP1 TDP1 299/4885CYP3A4 1739/4885TSHR 1267/4885

“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.