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SCHEMBL7180827

SCHEMBL7180827

CCC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(C)c1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL7180661 0.91 HDAC1 (0.37) SMN1; SMN2HDAC1HDAC2HDAC8MAPK1
SCHEMBL7182448 0.91 KMT2A (0.41) KMT2ACYP3A4SMN1; SMN2HDAC1HDAC2
Lithium SCHEMBL7182454 0.88 KMT2A (0.41) KMT2ACYP3A4SMN1; SMN2HDAC1HDAC2
SCHEMBL7189445 0.88 KMT2A (0.43) KMT2ACYP3A4SMN1; SMN2USP2MAPK1
SCHEMBL7187558 0.87 KMT2A (0.48) KMT2ACYP3A4SMN1; SMN2USP2MAPK1
SCHEMBL7185567 0.85 HDAC1 (0.35) SMN1; SMN2HDAC1HDAC2HDAC8MAPK1
SCHEMBL7182574 0.85 HDAC1 (0.41) KMT2ACYP3A4SMN1; SMN2HDAC1HDAC2
Lithium SCHEMBL7186870 0.85 KMT2A (0.45) KMT2ACYP3A4SMN1; SMN2USP2MAPK1
SCHEMBL7180950 0.85 KMT2A (0.42) KMT2ACYP3A4SMN1; SMN2HDAC1HDAC8
Lithium SCHEMBL7189981 0.84 KMT2A (0.41) KMT2ACYP3A4SMN1; SMN2USP2MAPK1

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 KMT2A 1586/4885CYP3A4 1652/4885SMN1; SMN2 2939/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 KMT2A 956/4885CYP3A4 1881/4885SMN1; SMN2 3105/4885

“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.