SCHEMBL7181597

SCHEMBL7181597

Cc1cccc(C)c1C(=O)c1ccccc1[P](=O)CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
F2R P25116 1/20 0.35
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MYC P01106 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL7189206 0.89 KMT2A (0.40) P2RX7F2RCNR1CNR2KMT2A
SCHEMBL7185548 0.87 F2R (0.36) F2RCNR1CNR2KMT2ACYP3A4
SCHEMBL7174871 0.85 CNR2 (0.38) CNR1CNR2KMT2ACYP3A4CYP2C9
SCHEMBL7189935 0.84 ALDH1A1 (0.33) P2RX7F2RCNR1CNR2KMT2A
SCHEMBL7184591 0.83 HTT (0.40) CNR1CNR2KMT2AHTTALDH1A1
SCHEMBL7190296 0.82 CNR2 (0.42) CNR1CNR2KMT2ACYP3A4SLC6A3
SCHEMBL7177874 0.82 SCD (0.36) P2RX7CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL7190118 0.80 CNR2 (0.38) CNR1CNR2KMT2ACYP3A4CYP2C9
SCHEMBL7181274 0.79 ALDH1A1 (0.32) F2RCNR1CNR2KMT2ACYP3A4
SCHEMBL7182907 0.78 TP53 (0.39) KMT2ACYP3A4HTTALDH1A1L3MBTL1

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 P2RX7 4680/4885F2R 4532/4885CNR1 651/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 P2RX7 4753/4885F2R 4423/4885CNR1 583/4885

“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.