SCHEMBL7180725

SCHEMBL7180725

CCCCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PDE4A P27815 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LTA4H P09960 1/20 0.43
NR5A1 Q13285 1/20 0.43
S1PR1 P21453 3/20 0.42
S1PR5 Q9H228 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
S1PR3 Q99500 2/20 0.41

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
SCHEMBL7181365 0.97 NR5A1 (0.48) LTA4HNR5A1S1PR1S1PR5TP53
SCHEMBL7181330 0.96 NR5A1 (0.50) NR5A1S1PR1S1PR5TP53TSHR
SCHEMBL7187454 0.94 L3MBTL1 (0.44) FAAHCYP1A2LTA4HTP53
SCHEMBL7183228 0.94 FAAH (0.41) FAAHKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7181016 0.93 L3MBTL1 (0.45) FAAHKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7183725 0.92 NR5A1 (0.43) LTA4HNR5A1S1PR1S1PR5TP53
SCHEMBL7184936 0.91 NR5A1 (0.45) NR5A1S1PR1S1PR5TP53TSHR
SCHEMBL7182674 0.91 MAPT (0.46) SMN1; SMN2NR5A1S1PR1S1PR5TP53
SCHEMBL7189280 0.89 MAPT (0.45) NR5A1S1PR1S1PR5TP53TSHR
SCHEMBL7190132 0.89 TAS1R3 (0.44) KDM4ESMN1; SMN2LTA4HTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579663-B2 Chemical intermediates such as lithium 2,6-dimethylbenzoyl phenylphosphine for preparation of acylphosphines, acylphosphine oxides or acylphosphine sulfides CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
US-20020107413-A1 Organometallic monoacylarylphosphines WOLF JEAN-PIERRE (CH) 2002-08-08 US disclosed
US-6399805-B2 SUCH AS LITHIUM 2,6-DIMETHYLBENZOYLPHENYLPHOSPHINE, USE AS PHOTOINITIATORS IN PHOTOCURABLE COMPOSITIONS SUCH AS FOR PHOTOGRAPHIC PRODUCTION OF RELIEF IMAGES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 US disclosed
US-20010031898-A1 Organometallic monoacylarylphosphines CIBA SPECIALTY CHEMICALS CORP. 2001-10-18 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 (2 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-20020107413-A1 Organometallic monoacylarylphosphines CBR1, NAF1, DHCR24 FAAH 3151/4885KDM4E 3226/4885CYP1A2 1595/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 FAAH 2825/4885KDM4E 2651/4885CYP1A2 2020/4885

“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.