SCHEMBL7180819

SCHEMBL7180819

CCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(C)cccc2C)c(OC(C)CC)c1.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
DHODH Q02127 2/20 0.33
CXCR5 P32302 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MTNR1A P48039 6/20 0.32
MTNR1B P49286 6/20 0.32

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
SCHEMBL7183722 0.92 DHODH (0.35) HDAC1HDAC2HDAC8ALDH1A1TSHR
SCHEMBL7190206 0.89 HDAC1 (0.32) HDAC1HDAC2HDAC8ALDH1A1DHODH
SCHEMBL7183717 0.88 DHODH (0.35) ALDH1A1TSHRDHODHGPBAR1CYSLTR1
SCHEMBL7186959 0.87 HDAC1 (0.38) HDAC1HDAC2HDAC8TSHRACACB
SCHEMBL7189324 0.87 ACACB (0.34) HDAC1HDAC2HDAC8ALDH1A1DHODH
SCHEMBL7175539 0.86 HDAC1 (0.31) HDAC1HDAC2HDAC8
SCHEMBL7175778 0.85 IRAK4 (0.37) ALDH1A1SMN1; SMN2
Lithium SCHEMBL7189334 0.84 ACACB (0.34) HDAC1HDAC2HDAC8ALDH1A1DHODH
SCHEMBL7188638 0.84 EED (0.31) HDAC1HDAC2HDAC8ACACB
SCHEMBL7735853 0.84 RXRA (0.33) ALDH1A1TSHRDHODHGPBAR1CYSLTR1

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.