SCHEMBL2266746

SCHEMBL2266746

O=C(Cl)CC(Cc1ccccc1)C(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CPA1 P15085 7/20 0.56
CPA3 P15088 3/20 0.56
CPB1 P15086 1/20 0.56
CPB2 Q96IY4 1/20 0.56
FOLH1 Q04609 2/20 0.52
MME P08473 1/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46

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
SCHEMBL1719401 0.89 CPA1 (0.72) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL8040411 0.88 CYP1A2 (0.68) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL6717333 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL27788634 0.82 CYP1A2 (0.52) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL28901708 0.82 CPA3 (0.54) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL8813761 0.81 CPA3 (0.59) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL7752235 0.81 KMT2A (0.53) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL3555234 0.81 CYP1A2 (0.64) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL1539262 0.79 FOLH1 (0.53) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL24236690 0.78 CYP1A2 (0.55) CYP1A2CPA1CPA3CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371070-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-18 US disclosed
EP-2791114-A1 PLANT GROWTH REGULATING COMPOUNDS Syngenta Participations AG (CH) 2014-10-22 EP disclosed
CN-104011023-A PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG 2014-08-27 CN disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
WO-2013087800-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-06-20 WO disclosed
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 US disclosed
WO-1997013750-A1 AZETIDINONES AND THEIR THERAPEUTIC USE AS CYTOKINE INHIBITORS CHIROSCIENCE LIMITED (GB) 1997-04-17 WO disclosed
EP-0302516-B1 Optical article made of amorphous thermoplastic polyester resin MITSUBISHI RAYON CO (JP) 1993-12-15 EP disclosed
EP-0513703-A2 Carbamate esters of eseroline having anticholinesterase activity, a process for their preparation and relative pharmaceutical compositions containing them as the active principle MAGIS FARMACEUTICI S.p.A. (IT) 1992-11-19 EP disclosed
US-4910291-A From aromatic diacid MITSUBISHI RAYON COMPANY LTD. (JP) 1990-03-20 US disclosed
EP-0302516-A2 Optical article made of amorphous thermoplastic polyester resin MITSUBISHI RAYON CO., LTD. (JP) 1989-02-08 EP 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 CYP1A2 4861/4885CPA1 1301/4885CPA3 2594/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 CYP1A2 4828/4885CPA1 963/4885CPA3 2557/4885
US-20140371070-A1 PLANT GROWTH REGULATING COMPOUNDS SREBF1, SREBF2, OSBP CYP1A2 3582/4885CPA1 2967/4885CPA3 4108/4885

“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.