SCHEMBL4265033

SCHEMBL4265033

CCC(C)c1ccc(NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GAA P10253 3/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 5/20 0.61
RAB9A P51151 3/20 0.57
THRB P10828 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GFER P55789 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
FAAH O00519 6/20 0.56
HPGD P15428 1/20 0.56
RAD51 Q06609 1/20 0.56
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.51

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
SCHEMBL15368858 0.94 RAB9A (0.65) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL13797610 0.85 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL6688394 0.82 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL2091879 0.82 TSHR (0.64) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL8063648 0.81 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1625599 0.80 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL2091876 0.80 TSHR (0.62) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL21234442 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL4249608 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL23240239 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US disclosed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 US disclosed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP disclosed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US disclosed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO 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 (3 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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 ALDH1A1 1103/4885MEN1 4876/4885KMT2A 3839/4885
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 ALDH1A1 1282/4885MEN1 4872/4885KMT2A 4445/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 ALDH1A1 1103/4885MEN1 4876/4885KMT2A 3839/4885

“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.