SCHEMBL872513

SCHEMBL872513

CCCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCCC)OCCOCCOCCOCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 1.00
TSHR P16473 3/20 1.00
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL37268 1.00 CYP3A4 (1.00) CYP3A4TSHRHPGDSMN1; SMN2MEN1
SCHEMBL3898989 1.00 CYP3A4 (1.00) CYP3A4TSHRHPGDSMN1; SMN2MEN1
Phosphine SCHEMBL28928133 1.00 CYP3A4 (1.00) CYP3A4TSHRHPGDSMN1; SMN2MEN1
SCHEMBL15695763 0.96 CYP3A4 (0.91) CYP3A4TSHRHPGDSMN1; SMN2MEN1
SCHEMBL15293625 0.96 CYP3A4 (0.91) CYP3A4TSHRHPGDSMN1; SMN2MEN1
SCHEMBL15293624 0.96 CYP3A4 (0.91) CYP3A4TSHRHPGDSMN1; SMN2MEN1
SCHEMBL116616 0.95 CYP3A4 (0.91) CYP3A4TSHRHPGDSMN1; SMN2
SCHEMBL8916348 0.94 TSHR (0.88) CYP3A4TSHRHPGDSMN1; SMN2
SCHEMBL15283502 0.94 TSHR (0.88) CYP3A4TSHRHPGDSMN1; SMN2MEN1
SCHEMBL6273415 0.93 CYP3A4 (0.87) CYP3A4TSHRHPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587130-B2 Anti-kogation agents HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2017-03-07 US disclosed
EP-2619274-B1 ANTI-KOGATION AGENTS HEWLETT PACKARD DEVELOPMENT CO (US) 2015-03-18 EP disclosed
US-20130194364-A1 Anti-Kogation Agents HEWLETT-PACKARD DEVELOPEMENT COMPANY, L.P. (US) 2013-08-01 US disclosed
EP-2619274-A1 ANTI-KOGATION AGENTS Hewlett-Packard Development Company, L.P. (US) 2013-07-31 EP disclosed
WO-2012039721-A1 ANTI-KOGATION AGENTS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-03-29 WO disclosed
EP-0965328-B1 COSMETIC KAO CORP (JP) 2009-03-04 EP disclosed
US-6932975-B2 Cosmetic composition comprising a phosphoric triester and a skin activating component KAO CORPORATION (JP) 2005-08-23 US disclosed
US-20050123578-A1 Method of treating skin with a composition comprising a phosphoric triester and a skin activating component KAO CORPORATION (JP) 2005-06-09 US disclosed
US-20020187166-A1 COSMETIC COMPOSITION COMPRISING A PHOSPHORIC TRIESTER AND A SKIN ACTIVATING COMPONENT KAO CORPORATION (JP) 2002-12-12 US disclosed
EP-0965328-A1 COSMETIC Kao Corporation (JP) 1999-12-22 EP 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-20050123578-A1 Method of treating skin with a composition comprising a phosphoric triester and a skin activating component CUTA, PIM1, PIM2 CYP3A4 3561/4885TSHR 1920/4885HPGD 4590/4885
US-20020187166-A1 COSMETIC COMPOSITION COMPRISING A PHOSPHORIC TRIESTER AND A SKIN ACTIVATING COMPONENT CUTA, PIM1, PIM2 CYP3A4 3813/4885TSHR 2181/4885HPGD 4599/4885

“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.