SCHEMBL7182574

SCHEMBL7182574

CCC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)cc1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ACACB O00763 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7179817 0.89 HDAC1 (0.40) HDAC1HDAC2HDAC8MTNR1AMTNR1B
SCHEMBL7182033 0.87 KMT2A (0.43) KMT2ACYP3A4CYP2D6CYP2C19TAS1R3
SCHEMBL7182448 0.87 KMT2A (0.41) HDAC1HDAC2HDAC8KMT2AMTNR1A
SCHEMBL7175851 0.86 KMT2A (0.45) KMT2ACYP3A4CYP2D6CYP2C19TAS1R3
SCHEMBL7177839 0.86 KMT2A (0.41) KMT2ACYP3A4CYP2D6CYP2C19TAS1R3
SCHEMBL7180827 0.85 KMT2A (0.40) HDAC1HDAC2HDAC8KMT2AMTNR1A
Lithium SCHEMBL7182454 0.84 KMT2A (0.41) HDAC1HDAC2HDAC8KMT2AMTNR1A
SCHEMBL7186732 0.84 KMT2A (0.52) KMT2ACYP3A4CYP2D6CYP2C19USP2
SCHEMBL7174828 0.84 CYP3A4 (0.38) HDAC1HDAC2HDAC8KMT2AACACB
SCHEMBL7182782 0.82 HDAC1 (0.37) HDAC1HDAC2HDAC8MTNR1AMTNR1B

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 HDAC1 1556/4885HDAC2 2156/4885HDAC8 1695/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 HDAC1 1870/4885HDAC2 1993/4885HDAC8 1635/4885

“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.