SCHEMBL3211990

SCHEMBL3211990

CCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@H]2C(C)(C)[C@]12OC(=O)CCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.94
PRKCG P05129 5/20 0.91
PRKCB P05771 5/20 0.91
PRKCH P24723 5/20 0.91
PRKCE Q02156 5/20 0.91
PRKCQ Q04759 5/20 0.91
PRKCD Q05655 5/20 0.91
PRKD3 O94806 4/20 0.91
PRKCI P41743 4/20 0.91
PRKCZ Q05513 4/20 0.91
PRKD1 Q15139 4/20 0.91
USP2 O75604 2/20 0.91
TP53 P04637 2/20 0.91
KDM4E B2RXH2 1/20 0.91
ALDH1A1 P00352 1/20 0.91
SMN1; SMN2 Q16637 1/20 0.91
CYP3A4 P08684 1/20 0.91
CYP2C9 P11712 1/20 0.91
TSHR P16473 1/20 0.91
NFKB1 P19838 1/20 0.91

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
SCHEMBL295345 1.00 PRKCA (0.94) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL1568997 1.00 PRKCA (0.94) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL2411275 0.99 PRKCA (0.95) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL31109155 0.99 PRKCA (0.95) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL18399995 0.99 PRKCA (0.95) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL1893793 0.95 PRKCA (0.89) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL6844180 0.95 PRKCA (0.89) PRKCAPRKCGPRKCBPRKCHPRKCE
Phorbol Myristate Acetate SCHEMBL19271683 0.95 PRKCA (1.00) PRKCAPRKCGPRKCBPRKCHPRKCE
Phorbol Myristate Acetate SCHEMBL115567 0.95 PRKCA (1.00) PRKCAPRKCGPRKCBPRKCHPRKCE
Phorbol Myristate Acetate SCHEMBL22736719 0.95 PRKCA (1.00) PRKCAPRKCGPRKCBPRKCHPRKCE

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
US-8703741-B2 Method of treating articular pain using a vanilloid receptor agonist together with a glycosaminoglycan or proteoglycan MESTEX AG (CH) 2014-04-22 US claimed
US-20080153780-A1 Use Of A Vanilloid Receptor Agonist Together With A Glycosaminoglycan Or Proteoglycan For Producing An Agent For Treating Articular Pains And Method For Applying Said Agent MESTEX AG (CH) 2008-06-26 US claimed
US-20170112787-A1 METHODS OF TREATMENT OF INFLAMMATION OF THE GUT THE UNIVERSITY OF CONNECTICUT 2017-04-27 US disclosed
US-8703741-B2 Method of treating articular pain using a vanilloid receptor agonist together with a glycosaminoglycan or proteoglycan MESTEX AG (CH) 2014-04-22 US disclosed
US-20100047181-A1 MIXTURE OF A VANILLOID RECEPTOR AGONIST AND A SUBSTANCE INHIBITING NERVE REGENERATION, USE THEREOF FOR PRODUCING A PAINKILLER, AND METHOD FOR APPLYING SAID PAINKILLER MESTEX AG (CH) 2010-02-25 US disclosed
US-20080153780-A1 Use Of A Vanilloid Receptor Agonist Together With A Glycosaminoglycan Or Proteoglycan For Producing An Agent For Treating Articular Pains And Method For Applying Said Agent MESTEX AG (CH) 2008-06-26 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 (1 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-20170112787-A1 METHODS OF TREATMENT OF INFLAMMATION OF THE GUT CNR2, CNR1, GPR18 PRKCA 3530/4885PRKCG 3405/4885PRKCB 3546/4885

“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.