SCHEMBL3906269

SCHEMBL3906269

O=C(O)C(C=Cc1ccccc1)(CO)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
PAM P19021 2/20 0.46
HDAC1 Q13547 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PLIN1 O60240 2/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 2/20 0.45
PLIN5 Q00G26 2/20 0.45
ABHD5 Q8WTS1 2/20 0.45
TNKS O95271 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL1236319 0.84 CYP2C19 (0.45) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL1618355 0.74 CYP2C19 (0.58) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL8500183 0.72 CYP2C19 (0.52) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL30583099 0.72 CYP2C19 (0.56) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL28748361 0.72 CYP2C19 (0.67) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL8499650 0.72 CYP2C19 (0.52) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL28655879 0.72 CYP2C19 (0.56) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL6067666 0.72 CYP2C19 (0.67) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL8499642 0.72 CYP2C19 (0.52) CYP2C19PAMHDAC1LMNAALDH1A1
SCHEMBL16552541 0.71 CYP2C19 (0.50) CYP2C19PAMHDAC1LMNAALDH1A1

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
US-7504531-B2 Processes for preparing difunctional compounds XEROX CORPORATION (US) 2009-03-17 US disclosed
US-20070255038-A1 Processes for preparing difunctional compounds XEROX CORPORATION (US) 2007-11-01 US disclosed
US-20070255071-A1 PROCESSES FOR PREPARING DIFUNCTIONAL COMPOUNDS XEROX CORPORATION (US) 2007-11-01 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-20070255071-A1 PROCESSES FOR PREPARING DIFUNCTIONAL COMPOUNDS ABL2, ABL1, PAICS CYP2C19 902/4885PAM 241/4885HDAC1 3094/4885

“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.