SCHEMBL7176995

SCHEMBL7176995

CCCCCOC(=O)C(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.O=[PH3]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
MMP8 P22894 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7186690 0.99 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7182417 0.99 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7184554 0.99 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7182655 0.99 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27484253 0.96 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7189184 0.96 TSHR (0.43) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27519992 0.95 TSHR (0.47) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27499046 0.95 TSHR (0.47) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27499352 0.93 TSHR (0.44) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7183200 0.91 MMP8 (0.44) CYP3A4LMNASMN1; SMN2ALDH1A1MMP8

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 TSHR 984/4885TP53 3575/4885CYP3A4 1652/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 TSHR 1273/4885TP53 3524/4885CYP3A4 1881/4885

“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.