SCHEMBL7575690

SCHEMBL7575690

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
LMNA P02545 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
PLIN1 O60240 2/20 0.57
RECQL P46063 2/20 0.57
PLIN5 Q00G26 2/20 0.57
ABHD5 Q8WTS1 2/20 0.57
ALDH1A1 P00352 2/20 0.57
F3 P13726 2/20 0.57
TNKS O95271 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57

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
SCHEMBL28435739 0.98 MAPT (0.59) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL11033432 0.96 MAPT (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL9333787 0.96 MAPT (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL10717498 0.96 MAPT (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL9416654 0.94 MAPT (0.59) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL11126196 0.90 MAPT (0.55) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL30603824 0.89 GLA (0.56) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL7882393 0.88 CYP1B1 (0.53) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL29761302 0.87 MAPT (0.52) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL18203200 0.85 CYP1B1 (0.55) MAPTLMNAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254884-A2 Preparation of vinyl ethers from alcohols and alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-06 EP claimed
EP-1245553-A2 Palladium-catalysed synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-02 EP claimed
US-20010008942-A1 Synthesis of aryl ethers BUCHWALD STEPHEN L (US) 2001-07-19 US claimed
EP-1027316-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-08-16 EP claimed
US-5847166-A Synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-12-08 US claimed
WO-1998015515-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-04-16 WO claimed

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-20010008942-A1 Synthesis of aryl ethers AHR, PAH, PDK1 MAPT 3843/4885LMNA 2726/4885HDAC3 1343/4885

“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.