SCHEMBL7185317

SCHEMBL7185317

COc1cccc(OC)c1C(=O)C(C(=O)OCc1ccccc1)c1ccccc1.O=[PH3]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ACHE P22303 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ELANE P08246 1/20 0.40
ATM Q13315 1/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL27484629 0.95 TAAR1 (0.44) TAAR1CA1CA2ACHENPC1
SCHEMBL7182121 0.92 ELANE (0.41) TAAR1CA1CA2ACHENPC1
SCHEMBL7187090 0.89 CA1 (0.44) CA1CA2ACHECA12CA7
SCHEMBL27500955 0.87 ELANE (0.41) TAAR1CA1CA2ACHENPC1
SCHEMBL7177656 0.87 MMP8 (0.52) TAAR1CA1CA2NPC1CA12
SCHEMBL7189703 0.85 CA12 (0.49) TAAR1CA1CA2NPC1RAB9A
SCHEMBL27499976 0.85 CA1 (0.45) CA1CA2ACHECA12CA7
SCHEMBL7174617 0.85 CA12 (0.43) CA1CA2CA12CA7CA9
SCHEMBL7179874 0.85 ALDH1A1 (0.43) TAAR1CA1CA2CA12CA7
SCHEMBL7175658 0.84 NPC1 (0.45) NPC1RAB9AALDH1A1KMT2AELANE

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 TAAR1 1345/4885CA1 2219/4885CA2 2297/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 TAAR1 1464/4885CA1 2302/4885CA2 2346/4885

“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.