SCHEMBL7181389

SCHEMBL7181389

COc1cccc(Cl)c1C(=O)Pc1ccc(OCCC(C)C)cc1C.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
GALR3 O60755 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL7183100 0.94 MAPK1 (0.40) ALDH1A1GAAMAPTL3MBTL1S1PR1
SCHEMBL7182069 0.94 S1PR1 (0.41) ALDH1A1S1PR1S1PR5MAPK1PPARG
SCHEMBL7177413 0.91 S1PR1 (0.38) ALDH1A1GAAMAPTL3MBTL1S1PR1
SCHEMBL7177558 0.91 S1PR1 (0.39) ALDH1A1S1PR1S1PR5MAPK1PPARG
SCHEMBL7175607 0.90 MAPT (0.39) ALDH1A1GAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL7179035 0.89 MAPT (0.40) ALDH1A1GAAMAPTL3MBTL1PPARG
SCHEMBL7190316 0.89 KDM4E (0.41) ALDH1A1GAAMAPTL3MBTL1MAPK1
SCHEMBL7180874 0.89 GAA (0.41) ALDH1A1GAAMAPTL3MBTL1PPARG
SCHEMBL7175423 0.87 THRA (0.40) ALDH1A1GAAMAPTL3MBTL1PPARG
SCHEMBL7174867 0.86 SMN1; SMN2 (0.46) ALDH1A1GAAMAPTL3MBTL1MAPK1

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 3416/4885GAA 4753/4885MAPT 4870/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885GAA 4793/4885MAPT 4859/4885

“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.