SCHEMBL4445240

SCHEMBL4445240

CC(O)(CO)[C@@H]1CC[C@]2(C(=O)NCc3cccc(C(=O)NCCCCC(=O)O)c3)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.50
▸ RORC P51449 11/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ ABCB1 P08183 1/20 0.43
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL4453958 0.92 RORC (0.47) TRPV1RORCNR1H4ABCB1
SCHEMBL14049878 0.89 ABCB1 (0.40) TRPV1RORCNR1H4ABCB1PTPN1
SCHEMBL4445877 0.88 TRPV1 (0.66) TRPV1RORCPTPN1
SCHEMBL13628320 0.88 TRPV1 (0.66) TRPV1RORCPTPN1
SCHEMBL13637465 0.88 TRPV1 (0.66) TRPV1RORCPTPN1
SCHEMBL13637460 0.88 TRPV1 (0.65) TRPV1RORCPTPN1
SCHEMBL13628322 0.88 TRPV1 (0.65) TRPV1RORCPTPN1
SCHEMBL13628323 0.83 TRPV1 (0.68) TRPV1RORCPTPN1
SCHEMBL13637709 0.83 TRPV1 (0.68) TRPV1RORCPTPN1
SCHEMBL13637690 0.82 RORC (0.63) TRPV1RORCPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — US disclosed
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 TRPV1 3411/4885RORC 514/4885NR1H4 1225/4885

“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.

Send feedback