SCHEMBL1034147

SCHEMBL1034147

CCOC(=O)CP(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.48
HTT P42858 1/20 0.44
ALDH1A1 P00352 6/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1035839 0.80 TSHR (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL17844004 0.76 NLRP3 (0.55) NLRP3HTTALDH1A1CA12CA1
SCHEMBL8493097 0.74 CA12 (0.66) NLRP3ALDH1A1CA12CA1CA2
SCHEMBL11229135 0.74 NLRP3 (0.61) NLRP3HTTALDH1A1CA12CA1
SCHEMBL1034451 0.74 NLRP3 (0.45) NLRP3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13446917 0.73 CYP4F2 (0.44) NLRP3HTTALDH1A1CA12CA1
SCHEMBL12956513 0.72 ALDH1A1 (0.39) ALDH1A1CYP3A4MAPTKMT2APOLB
SCHEMBL18754170 0.72 HTT (0.60) NLRP3HTTALDH1A1MAPTHPGD
SCHEMBL5528116 0.71 GPR35 (0.50) NLRP3HTTALDH1A1CA12CA1
SCHEMBL1429298 0.71 AKR1B1 (0.55) NLRP3HTTALDH1A1NPSR1CYP1A2

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
EP-1814891-B1 BISACYLPHOSPHANES AND THEIR USE AS PHOTOINITIATORS; PROCESS FOR PREPARING ACYLPHOSPHANES BASF SE (DE) 2011-01-26 EP disclosed
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 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-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof ME2, ME3, MEP1A NLRP3 4879/4885HTT 4242/4885ALDH1A1 248/4885

“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.