SCHEMBL2598725

SCHEMBL2598725

COC(=O)C1C=CC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
DNTT P04053 1/20 0.33
BRD4 O60885 1/20 0.33
NLRP3 Q96P20 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL2083008 0.76 POLB (0.33) NFKB1NFKB2RELANLRP3
SCHEMBL818076 0.75 PPM1B (0.38) CYP1A2HIF1AALDH1A1
SCHEMBL10851617 0.69 ALDH1A1 (0.36) CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL17918196 0.69 NFKB1 (0.39) NFKB1NFKB2RELA
SCHEMBL13425089 0.69 NFKB1 (0.31) NFKB1NFKB2RELANLRP3
SCHEMBL15324962 0.68
SCHEMBL13042109 0.68 PPM1B (0.41) CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL6641149 0.68
SCHEMBL8122200 0.68
SCHEMBL386334 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110051551-A A method of beauty face-whitening-nourishing cream is prepared using Idesia polycarpa whitening element 成都市农林科学院 2019-07-26 CN disclosed
EP-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
EP-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
EP-2814834-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY Bristol-Myers Squibb Company (US) 2014-12-24 EP disclosed
US-8906889-B2 C-3 cycloalkenyl triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-8906889-B2 C-3 cycloalkenyl triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-8906889-B2 C-3 cycloalkenyl triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
WO-2013123019-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-22 WO disclosed
WO-2013123019-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-22 WO disclosed
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
EP-2571351-A1 DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
WO-2011146371-A1 DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-11-24 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 (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-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, ZC3HAV1, CYP8B1 CYP1A2 284/4885HIF1A 3678/4885ALDH1A1 2192/4885

“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.