SCHEMBL7186959

SCHEMBL7186959

CCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(OC)cccc2OC)c(OC(C)CC)c1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
MTNR1A P48039 7/20 0.37
MTNR1B P49286 7/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 1/20 0.36
ACACB O00763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.34
TSHR P16473 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
SCHEMBL7183562 0.93 HDAC1 (0.35) HDAC1HDAC2HDAC8MTNR1AMTNR1B
SCHEMBL7174828 0.90 CYP3A4 (0.38) HDAC1HDAC2HDAC8ACACBSMN1; SMN2
SCHEMBL7189006 0.87 MAPT (0.38) HDAC1HDAC2HDAC8MTNR1AMTNR1B
SCHEMBL7183717 0.87 DHODH (0.35) MTNR1AMTNR1BACACBSMN1; SMN2MCHR1
SCHEMBL7180819 0.87 HDAC1 (0.34) HDAC1HDAC2HDAC8MTNR1AMTNR1B
SCHEMBL7187589 0.85 BRPF1 (0.42) CA12CA1CA2CA7CA9
Lithium SCHEMBL7189019 0.85 MAPT (0.38) HDAC1HDAC2HDAC8MTNR1AMTNR1B
SCHEMBL7187923 0.84 CA12 (0.40) HDAC8CA12CA1CA2CA7
SCHEMBL7189987 0.84 SMN1; SMN2 (0.36) CA12CA1CA2CA7CA9
SCHEMBL7179817 0.83 HDAC1 (0.40) 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.