SCHEMBL7189924

SCHEMBL7189924

Cc1cc(C(C)(C)C)cc(C)c1C(=O)Pc1c(OCCC(C)C)cc(OCCC(C)C)cc1OCCC(C)C.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
NR1I2 O75469 1/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDK2 Q15119 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7190109 0.90 MAPK1 (0.38) ESR1MAPK1EPHX2CNR1CNR2
SCHEMBL7188781 0.87 MAPT (0.35) NR1I2SMN1; SMN2PPARGPPARDPPARA
SCHEMBL7732347 0.86 F2R (0.33) NR1I2HTTPPARGPPARDPPARA
SCHEMBL7184423 0.86 THRB (0.39) ESR1NR1I2PPARGPPARDPPARA
SCHEMBL7181591 0.86 HTT (0.40) ESR1MAPK1EPHX2HTTTP53
SCHEMBL7176059 0.86 FOS (0.34)
SCHEMBL7182347 0.86 MAPK1 (0.39) ESR1MAPK1EPHX2NR1I2HTT
SCHEMBL7190283 0.85 MAPK1 (0.36) ESR1MAPK1EPHX2CNR1CNR2
SCHEMBL7182727 0.85 THRB (0.43) ESR1CNR1CNR2TP53
SCHEMBL7186955 0.84 THRB (0.45) ESR1CNR1CNR2TP53

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 ESR1 3736/4885MAPK1 1801/4885EPHX2 2476/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ESR1 3621/4885MAPK1 2710/4885EPHX2 2048/4885

“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.