SCHEMBL4089913

SCHEMBL4089913

O=C(O)C(C(=O)O)[C@H](/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
LMNA P02545 4/20 0.44
CYP2D6 P10635 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PLIN1 O60240 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
PLIN5 Q00G26 2/20 0.44
ABHD5 Q8WTS1 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL4089917 1.00 CYP1A2 (0.62) CYP1A2LMNACYP2D6HDAC3HDAC4
SCHEMBL4089914 1.00 CYP1A2 (0.62) CYP1A2LMNACYP2D6HDAC3HDAC4
SCHEMBL25367803 1.00 CYP1A2 (0.62) CYP1A2LMNACYP2D6HDAC3HDAC4
SCHEMBL6248685 0.86 CYP1A2 (0.51) CYP1A2LMNAALDH1A1TDP1CNR2
SCHEMBL6248687 0.86 CYP1A2 (0.51) CYP1A2LMNAALDH1A1TDP1CNR2
SCHEMBL6054595 0.86 CYP1A2 (0.51) CYP1A2LMNAALDH1A1TDP1CNR2
SCHEMBL6054594 0.86 CYP1A2 (0.51) CYP1A2LMNAALDH1A1TDP1CNR2
SCHEMBL13766508 0.86 CYP1A2 (0.54) CYP1A2LMNACYP2D6HDAC3HDAC4
SCHEMBL11948863 0.82 KMT2A (0.50) CYP1A2LMNAALDH1A1TDP1CNR2
SCHEMBL5861097 0.82 KMT2A (0.50) CYP1A2LMNAALDH1A1TDP1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023156972-A1 PALLADIUM PRECATALYST EMBODIMENTS FOR ENANTIOSELECTIVE CHEMICAL REACTIONS AND METHODS OF MAKING AND USING THE SAME UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2023-08-24 WO disclosed
US-8076480-B2 Process of preparing optically active allyl compound NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2011-12-13 US disclosed
US-20090030200-A1 PROCESS OF PREPARING OPTICALLY ACTIVE ALLYL COMPOUND NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-01-29 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 (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-20090030200-A1 PROCESS OF PREPARING OPTICALLY ACTIVE ALLYL COMPOUND DHPS, ITPA, PDXK CYP1A2 1136/4885LMNA 4587/4885CYP2D6 767/4885

“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.