SCHEMBL7175016

SCHEMBL7175016

Cc1cccc(C)c1C(=O)P(C)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MYC P01106 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7189033 0.89 TYK2 (0.44) MAPTALDH1A1KMT2A
SCHEMBL69535 0.86 ESR1 (0.39) ESR1HPGDCA2CA4CA5A
SCHEMBL246249 0.83 L3MBTL1 (0.41) ESR1HPGDPOLBL3MBTL1CA2
SCHEMBL260684 0.83 HPGD (0.42) ESR1HPGDPOLBL3MBTL1CA2
SCHEMBL7183332 0.82 KCNK9 (0.40) ESR1L3MBTL1TDP1KCNK9MAPT
SCHEMBL6364041 0.81 CA2 (0.43) ESR1HPGDPOLBL3MBTL1CA2
SCHEMBL7189912 0.80 ALDH1A1 (0.44) ESR1HPGDCA2CA4CA5A
SCHEMBL7177683 0.80 KMT2A (0.38) ESR1HPGDPOLBCA2CA4
SCHEMBL18860360 0.78 HPGD (0.42) HPGDPOLBL3MBTL1TDP1GPR52
SCHEMBL6468664 0.78 HPGD (0.42) HPGDPOLBL3MBTL1TDP1GPR52

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 ESR1 3736/4885HPGD 3983/4885POLB 2322/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ESR1 3621/4885HPGD 4041/4885POLB 2993/4885

“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.