SCHEMBL3535486

SCHEMBL3535486

COc1[c]cccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 3/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
BACE1 P56817 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE4B Q07343 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL1646811 0.85 ABL1 (0.50) MAPTABL1ABCB1BCRBACE1
SCHEMBL9151380 0.85 ACHE (0.35) ALDH1A1MAPTHTTABL1ABCB1
SCHEMBL28140406 0.83 ABL1 (0.49) ABL1ABCB1BCRBACE1PDE4B
SCHEMBL1490970 0.83 SLC6A3 (0.41) ALDH1A1MAPTHTTNPSR1ABL1
SCHEMBL6985969 0.83 SLC6A4 (0.42) ALDH1A1MAPTHTTABL1ABCB1
SCHEMBL17514813 0.83 SLC6A4 (0.42) ABL1ABCB1BCRSQORCYP1A2
SCHEMBL16720197 0.83 SMN1; SMN2 (0.38) MAPTSQORLMNAKDM4EGAA
SCHEMBL5674435 0.80 ERN1 (0.38) ALDH1A1MAPTNPSR1ABL1ABCB1
SCHEMBL9180615 0.80 ACHE (0.40) ALDH1A1ABL1HSD17B10HPGDCYP2A6
SCHEMBL8007812 0.80 EGFR (0.40) ALDH1A1MAPTMITFHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218477-B A kind of polysubstituted benzo [b] [1,4] oxygen azatropylidene piperidine derivatives and preparation method thereof 华侨大学 2017-12-01 CN claimed
EP-2029527-B1 MODIFIED CHALCONE COMPOUNDS AS ANTIMITOTIC AGENTS ARIZONA BIOMEDICAL RES COMMISSION (US) 2012-08-08 EP claimed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-5861402-A BRADYKININ ANTAGONISTS USEFUL FOR THE TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, COMMON COLD, ALLERGIES, ASTHMA, PANCREATITIS, BURNS, VIRUS INFECTION, HEAD INJURY, MULTIPLE TRAUMA PFIZER PHARMACEUTICALS, INC. (JP) 1999-01-19 US claimed
US-4994461-A Vasodilators; treating cardiovascular disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-02-19 US claimed
US-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-04-15 US disclosed
EP-3774696-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2021-02-17 EP disclosed
WO-2019193068-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-10-10 WO disclosed
EP-3549927-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2019-10-09 EP disclosed
CN-105218477-B A kind of polysubstituted benzo [b] [1,4] oxygen azatropylidene piperidine derivatives and preparation method thereof 华侨大学 2017-12-01 CN disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
CN-105218477-A A kind of polysubstituted benzo [b] [Isosorbide-5-Nitrae] oxygen azatropylidene piperidine derivatives and preparation method thereof UNIV HUAQIAO 2016-01-06 CN disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 WO disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
US-5939418-A ANTICOAGULANT THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-08-17 US disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
WO-1998004546-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1998-02-05 WO 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-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS OTC, MCCC2, CPS1 ALDH1A1 407/4885MAPT 2048/4885MITF 3442/4885

“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.