SCHEMBL7181709

SCHEMBL7181709

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.42
SLC22A1 O15245 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL27500965 0.95 ALDH1A1 (0.43) KCNA3SLC22A1HTTCA12CA1
SCHEMBL7181903 0.92 KCNA3 (0.38) KCNA3SLC22A1HTTCA12CA1
SCHEMBL7187332 0.90 KMT2A (0.41) KCNA3SLC22A1HTTALDH1A1KDM4E
SCHEMBL7179874 0.88 ALDH1A1 (0.43) KCNA3CA12CA1CA2CA7
SCHEMBL7174617 0.88 CA12 (0.43) KCNA3CA12CA1CA2CA7
SCHEMBL27499054 0.88 ALDH1A1 (0.39) KCNA3SLC22A1HTTCA12CA1
SCHEMBL27561211 0.86 KMT2A (0.41) KCNA3SLC22A1HTTALDH1A1KDM4E
SCHEMBL7189067 0.85 PPARA (0.44) CA12CA1CA2CA7CA9
SCHEMBL7188152 0.85 SLC22A1 (0.43) SLC22A1HTTALDH1A1KDM4EHSD17B10
SCHEMBL7177656 0.85 MMP8 (0.52) KCNA3CA12CA1CA2CA7

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 KCNA3 366/4885SLC22A1 2713/4885HTT 2802/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 KCNA3 385/4885SLC22A1 3188/4885HTT 2393/4885

“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.