Sugi Predict

Sugi Predict / Compounds / SCHEMBL3321163

SCHEMBL3321163

SCHEMBL3321163

O=C(OC(C=Cc1ccccc1)c1ccccc1)OC(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.56
▸ MAPT P10636 3/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ PLIN1 O60240 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ PLIN5 Q00G26 2/20 0.42
▸ ABHD5 Q8WTS1 2/20 0.42
▸ TNKS O95271 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL3321160 1.00 CYP1A2 (0.56) CYP1A2MAPTHDAC3HDAC4HDAC1
SCHEMBL3321162 0.89 CYP1A2 (0.56) CYP1A2MAPTHDAC3HDAC4HDAC1
SCHEMBL1941434 0.86 CYP1A2 (0.53) CYP1A2MAPTHDAC3HDAC4HDAC1
SCHEMBL3856527 0.86 CYP1A2 (0.53) CYP1A2MAPTHDAC3HDAC4HDAC1
SCHEMBL1941433 0.86 CYP1A2 (0.53) CYP1A2MAPTHDAC3HDAC4HDAC1
SCHEMBL3960504 0.86 MEN1 (0.49) CYP1A2MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL3960502 0.86 MEN1 (0.49) CYP1A2MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL24667207 0.81 CYP1A2 (0.47) CYP1A2MAPTHDAC3HDAC4HDAC1
SCHEMBL27713535 0.81 CYP1A2 (0.47) CYP1A2MAPTHDAC3HDAC4HDAC1
SCHEMBL15908398 0.79 CYP1A2 (0.52) CYP1A2MAPTHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732365-B2 Enantioselective amination and etherification YALE UNIVERSITY (US) 2010-06-08 — — US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 — — US disclosed
EP-1745056-A4 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY CORP (US) 2007-10-31 — — EP disclosed
EP-1745056-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS Yale University Corporation (US) 2007-01-24 — — EP disclosed
US-20060199728-A1 Enantioselective amination and etherification YALE UNIVERSITY (US) 2006-09-07 — — US disclosed
WO-2005111050-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY (US) 2005-11-24 — — WO disclosed
WO-2004024684-A2 ENANTIOSELECTIVE AMINATION AND ETHERIFICATION YALE UNIVERSITY (US) 2004-03-25 — — 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-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts AKR1C3, PCNA, AKR1C4 CYP1A2 1156/4885MAPT 4142/4885HDAC3 3657/4885

“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.