SCHEMBL7182604

SCHEMBL7182604

Cc1cc(C)c(C(=O)Pc2ccc(Oc3ccccc3)cc2C)c(C)c1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRD5A2 P31213 1/20 0.39
IDH1 O75874 1/20 0.39
AKR1C3 P42330 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
XDH P47989 1/20 0.37
PTGS2 P35354 1/20 0.37
DHODH Q02127 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 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
SCHEMBL7182351 0.91 KMT2A (0.46) PTGS1KMT2AMEN1CYP2D6SRD5A2
SCHEMBL7182259 0.90 PTGS1 (0.38) PTGS1KMT2AMEN1CYP2D6SRD5A2
SCHEMBL7180151 0.89 RAF1 (0.40) PTGS1KMT2AMEN1CYP2D6SRD5A2
Lithium SCHEMBL7182271 0.87 SRD5A2 (0.38) PTGS1KMT2AMEN1CYP2D6SRD5A2
SCHEMBL7188197 0.87 PTGS1 (0.38) PTGS1KMT2AMEN1CYP2D6SRD5A2
SCHEMBL7175548 0.86 PTGS1 (0.42) PTGS1KMT2AMEN1CYP2D6SRD5A2
SCHEMBL7177267 0.85 SRD5A2 (0.41) PTGS1KMT2AMEN1CYP2D6SRD5A2
SCHEMBL7182566 0.84 CA12 (0.41) PTGS1KMT2AMEN1CYP2D6AKR1C3
SCHEMBL7184548 0.83 ALDH1A1 (0.39) KMT2AMEN1AKR1C3MAPK1LMNA
SCHEMBL7181462 0.83 KMT2A (0.41) PTGS1KMT2AMEN1MAPK1XDH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
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
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN 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 PTGS1 3066/4885KMT2A 1586/4885MEN1 2312/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 PTGS1 3435/4885KMT2A 956/4885MEN1 2263/4885

“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.