SCHEMBL4213368

SCHEMBL4213368

C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.76
▸ RORC P51449 14/20 0.74
▸ EGLN2 Q96KS0 1/20 0.71
▸ EGLN1 Q9GZT9 1/20 0.71
▸ EGLN3 Q9H6Z9 1/20 0.71
▸ P4HTM Q9NXG6 1/20 0.71
▸ PTPN1 P18031 2/20 0.71
▸ ALB P02768 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ HIF1A Q16665 1/20 0.71
▸ AKR1B10 O60218 1/20 0.71
▸ POLB P06746 1/20 0.71
▸ GLI1 P08151 1/20 0.71
▸ AKR1B1 P15121 1/20 0.71
▸ NT5E P21589 1/20 0.71
▸ DPP4 P27487 1/20 0.71
▸ GPBAR1 Q8TDU6 1/20 0.71
▸ SAE1 Q9UBE0 1/20 0.71
▸ UBA2 Q9UBT2 1/20 0.71

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
SCHEMBL4451317 0.94 TRPV1 (0.74) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL12557941 0.93 TRPV1 (0.75) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL13628225 0.92 RORC (0.73) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL12557957 0.92 RORC (0.80) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL16704676 0.92 F3 (0.73) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL13628230 0.92 TRPV1 (0.74) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL4442339 0.92 TRPV1 (0.74) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL13637466 0.92 TRPV1 (0.76) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL12557958 0.92 RORC (0.75) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL13628219 0.92 TRPV1 (0.76) TRPV1RORCEGLN2EGLN1EGLN3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623848-B2 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2014-01-07 — — US claimed
US-20090143350-A1 Anxiolytic Marcgraviaceae Compositions Containing Betulinic Acid, Betulinic Acid Derivatives, and Methods UNIVERSITY OF OTTAWA 2009-06-04 — — US claimed
US-20040235805-A1 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods PALADIN LABS INC. (CA) 2004-11-25 — — US claimed
EP-1476031-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS University of Ottawa (CA) 2004-11-17 — — EP claimed
WO-2002091858-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS UNIVERSITY OF OTTAWA (CA) 2002-11-21 — — WO claimed
US-20150005267-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS UNIV OTTAWA (CA) 2015-01-01 — — US disclosed
US-8623848-B2 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2014-01-07 — — US disclosed
EP-2567625-A1 Preparation containing betulinic acid, obtained from a plant of the family Marcgraviaceae UNIVERSITY OF OTTAWA (CA) 2013-03-13 — — EP disclosed
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2011-06-16 — — US disclosed
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2011-06-16 — — US disclosed
US-20090149429-A1 ANTIVIRAL COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2009-06-11 — — US disclosed
US-20090149429-A1 ANTIVIRAL COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2009-06-11 — — US disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 — — US disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 — — US disclosed
US-7488722-B2 Anxiolytic Marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2009-02-10 — — US disclosed
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2008-08-28 — — US disclosed
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2008-08-28 — — US disclosed
US-20040235805-A1 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods PALADIN LABS INC. (CA) 2004-11-25 — — US disclosed
EP-1476031-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS University of Ottawa (CA) 2004-11-17 — — EP disclosed
WO-2002091858-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS UNIVERSITY OF OTTAWA (CA) 2002-11-21 — — 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 (7 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-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 TRPV1 372/4885RORC 41/4885EGLN2 332/4885
US-20090149429-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, MAVS, EIF2AK2 TRPV1 3298/4885RORC 965/4885EGLN2 1098/4885
US-20090143350-A1 Anxiolytic Marcgraviaceae Compositions Containing Betulinic Acid, Betulinic Acid Derivatives, and Methods GABRA5, GABRA6, GABRA1 TRPV1 2359/4885RORC 372/4885EGLN2 2147/4885
US-20040235805-A1 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods GABRA5, GABRA6, GABRA1 TRPV1 2359/4885RORC 372/4885EGLN2 2147/4885
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 TRPV1 372/4885RORC 41/4885EGLN2 332/4885
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 TRPV1 372/4885RORC 41/4885EGLN2 332/4885
US-20150005267-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS GABRA5, GABRA6, GABRA1 TRPV1 2359/4885RORC 372/4885EGLN2 2147/4885

“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.

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