SCHEMBL1646390

SCHEMBL1646390

O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd].[Pd]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.95
CYP2C9 P11712 3/20 0.95
F3 P13726 3/20 0.95
CYP1A2 P05177 3/20 0.95
PLIN1 O60240 2/20 0.95
LMNA P02545 2/20 0.95
RECQL P46063 2/20 0.95
PLIN5 Q00G26 2/20 0.95
ABHD5 Q8WTS1 2/20 0.95
CYP2D6 P10635 2/20 0.95
ALDH1A1 P00352 2/20 0.95
SMN1; SMN2 Q16637 1/20 0.95
HDAC3 O15379 2/20 0.70
HDAC4 P56524 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
TNKS O95271 1/20 0.70
HCAR2 Q8TDS4 1/20 0.70

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
SCHEMBL546073 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL7512289 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL509571 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL5111 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL14832106 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL2438441 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL18039478 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL187662 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL21879664 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL2639578 1.00 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530122-A Phosphine ligand and application thereof in synthesizing propionate through vinylcarbonyl 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530116-A Method for synthesizing acrylic ester by carbonylation of acetylene 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530276-A Phosphine ligand and application thereof in synthesizing acrylic ester by acetylene carbonyl 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530115-A Method for synthesizing acrylic ester by carbonylation of acetylene 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530278-A Phosphine ligand and application thereof in synthesizing acrylic ester by acetylene carbonyl 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530117-A Method for synthesizing acrylic ester by carbonylation of acetylene 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530280-A Asymmetric diphosphine ligand and application thereof in synthesizing acrylic ester by acetylene carbonylation 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530121-A Method for synthesizing propionate by ethylene carbonylation 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530118-A Method for synthesizing acrylic ester by carbonylation of acetylene 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530120-A Method for synthesizing propionate by ethylene carbonylation 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530119-A Method for synthesizing propionate by ethylene carbonylation 中国科学院上海有机化学研究所 2024-08-23 CN claimed
CN-118530117-A Method for synthesizing acrylic ester by carbonylation of acetylene 中国科学院上海有机化学研究所 2024-08-23 CN disclosed
CN-118530122-A Phosphine ligand and application thereof in synthesizing propionate through vinylcarbonyl 中国科学院上海有机化学研究所 2024-08-23 CN disclosed
CN-118530119-A Method for synthesizing propionate by ethylene carbonylation 中国科学院上海有机化学研究所 2024-08-23 CN disclosed
CN-118530121-A Method for synthesizing propionate by ethylene carbonylation 中国科学院上海有机化学研究所 2024-08-23 CN disclosed
US-20090192134-A1 Compounds MEGHANI PREMJI 2009-07-30 US disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2008-04-24 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (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-20090192134-A1 Compounds CCL11, CCL2, CCL5 MAPT 2652/4885CYP2C9 1206/4885F3 1070/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MAPT 2195/4885CYP2C9 196/4885F3 2461/4885
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 MAPT 4176/4885CYP2C9 2581/4885F3 3648/4885

“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.