SCHEMBL7186795

SCHEMBL7186795

CCCCC(CC)COc1cc(OCC(CC)CCCC)c(PC(=O)c2c(C)cccc2Cl)c(OCC(CC)CCCC)c1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 3/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
PTGES O14684 5/20 0.34
ALOX5 P09917 5/20 0.34
PPARG P37231 5/20 0.34
PPARA Q07869 5/20 0.34
TRPM4 Q8TD43 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH2 P05091 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL7189839 0.95 ALDH1A1 (0.44) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7186848 0.93 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7174547 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7190478 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7187621 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7181530 0.85 ALDH1A1 (0.39) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7181370 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7175746 0.84 ALDH1A1 (0.36) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL7189068 0.84 PTGER1 (0.38) ALDH1A1PPARGTRPM4NFKB1NFKB2
SCHEMBL7189062 0.84 PPARG (0.40) ALDH1A1TSHRTDP1PTGESALOX5

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 ALDH1A1 3416/4885MAPK1 1801/4885CYP3A4 1652/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885MAPK1 2710/4885CYP3A4 1881/4885

“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.