SCHEMBL3897604

SCHEMBL3897604

COC(=O)c1cccc2c(C=O)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.53
PIM3 Q86V86 1/20 0.53
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 2/20 0.44
CFTR P13569 1/20 0.44
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
PSMD14 O00487 1/20 0.43
NR4A2 P43354 3/20 0.43
PTPRC P08575 1/20 0.43
CREBBP Q92793 1/20 0.42
ERN1 O75460 2/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 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
SCHEMBL870174 0.90 BRD4 (0.47) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL70429 0.85 LMNA (0.59) ALDH1A1POLBLMNATSHRHSD17B10
SCHEMBL1935692 0.82 PIM1 (0.39) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL121356 0.82 LMNA (0.57) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL30635255 0.82 LMNA (0.57) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL31184600 0.81 ALDH1A1 (0.59) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL29216778 0.81 ALDH1A1 (0.49) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL16566856 0.81 ALDH1A1 (0.59) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL7195201 0.81 KDM4E (0.58) PIM1PIM3ALDH1A1POLBRAB9A
SCHEMBL26617428 0.81 CA1 (0.50) PIM1PIM3ALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701934-B1 DISUBSTITUTED CHALCONE OXIMES HAVING RAR(Gamma)-RETINOID RECEPTOR ANTAGONIST ACTIVITY ALLERGAN INC (US) 2009-02-25 EP disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7432388-B2 Disubstituted chalcone oximes having RARγ retinoid receptor antagonist activity ALLERGAN, INC. (US) 2008-10-07 US disclosed
US-20080097119-A1 Disubstituted chalcone oximes having RARgamma retinoid receptor antagonist activity TSANG KWOK Y 2008-04-24 US disclosed
US-7253319-B2 Disubstituted chalcone oximes having RARγ retinoid receptor antagonist activity ALLERGAN, INC. (US) 2007-08-07 US disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
EP-1701934-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RAR(Gamma)-RETINOID RECEPTOR ANTAGONIST ACTIVITY Allergan, Inc. (US) 2006-09-20 EP disclosed
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity ALLERGAN, INC. 2005-07-28 US disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed
WO-2005066115-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RARϜ RETINOID RECEPTOR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2005-07-21 WO disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 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 (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-20080097119-A1 Disubstituted chalcone oximes having RARgamma retinoid receptor antagonist activity RARG, RARB, RARA PIM1 4227/4885PIM3 4123/4885ALDH1A1 421/4885
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity RARB, RARG, RARA PIM1 4544/4885PIM3 4403/4885ALDH1A1 398/4885
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB PIM1 4082/4885PIM3 4262/4885ALDH1A1 1103/4885

“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.