SCHEMBL16612355

SCHEMBL16612355

COCOc1ccc(C=CC2=CC(=O)[C@H]3C[C@@H]2C3(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.34
APP P05067 1/20 0.34
MAPT P10636 3/20 0.33
PTPN1 P18031 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ESR1 P03372 2/20 0.33
AHR P35869 2/20 0.33
RELA Q04206 1/20 0.33
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
KDR P35968 1/20 0.32
CHRNA7 P36544 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL16612354 1.00 PTGS2 (0.34) PTGS2APPMAPTPTPN1CYP3A4
SCHEMBL23931229 0.87 CYP3A4 (0.43) PTGS2MAPTCYP3A4CYP2C9ESR1
SCHEMBL23931230 0.87 CYP3A4 (0.43) PTGS2MAPTCYP3A4CYP2C9ESR1
SCHEMBL23931231 0.87 CYP3A4 (0.43) PTGS2MAPTCYP3A4CYP2C9ESR1
SCHEMBL16612599 0.87 CYP3A4 (0.43) PTGS2MAPTCYP3A4CYP2C9ESR1
SCHEMBL16612621 0.87 CYP3A4 (0.43) PTGS2MAPTCYP3A4CYP2C9ESR1
SCHEMBL38657336 0.81 PIM1 (0.40) POLB
SCHEMBL23931233 0.79 APP (0.36) PTGS2APPMAPTCYP3A4CYP2C9
SCHEMBL23931235 0.79 APP (0.36) PTGS2APPMAPTCYP3A4CYP2C9
SCHEMBL23931237 0.79 APP (0.36) PTGS2APPMAPTCYP3A4CYP2C9

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-10710951-B2 Pharmaceutical composition containing verbenone derivative for treating or preventing neurodegenerative disease SHIN POONG PHARMACEUTICAL CO., LTD. (KR) 2020-07-14 US disclosed
EP-2857007-B1 PHARMACEUTICAL COMPOSITION CONTAINING VERBENONE DERIVATIVE FOR TREATING OR PREVENTING NEURODEGENERATIVE DISEASE UNIV KOREA RES & BUS FOUND (KR) 2018-03-28 EP disclosed
US-20170166505-A1 PHARMACEUTICAL COMPOSITION CONTAINING VERBENONE DERIVATIVE FOR TREATING OR PREVENTING NEURODEGENERATIVE DISEASE SHIN POONG PHARMACEUTICAL CO., LTD. (KR) 2017-06-15 US disclosed
US-9603842-B2 Pharmaceutical composition containing verbenone derivative for treating or preventing neurodegenerative disease KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2017-03-28 US disclosed
US-20150148362-A1 PHARMACEUTICAL COMPOSITION CONTAINING VERBENONE DERIVATIVE FOR TREATING OR PREVENTING NEURODEGENERATIVE DISEASE SHIN POONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-28 US disclosed
EP-2857007-A1 PHARMACEUTICAL COMPOSITION CONTAINING VERBENONE DERIVATIVE FOR TREATING OR PREVENTING NEURODEGENERATIVE DISEASE Korea University Research and Business Foundation (KR) 2015-04-08 EP 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-20170166505-A1 PHARMACEUTICAL COMPOSITION CONTAINING VERBENONE DERIVATIVE FOR TREATING OR PREVENTING NEURODEGENERATIVE DISEASE CASP3, DCX, BAX PTGS2 327/4885APP 96/4885MAPT 239/4885
US-10710951-B2 Pharmaceutical composition containing verbenone derivative for treating or preventing neurodegenerative disease CASP3, DCX, BAX PTGS2 327/4885APP 96/4885MAPT 239/4885
US-20150148362-A1 PHARMACEUTICAL COMPOSITION CONTAINING VERBENONE DERIVATIVE FOR TREATING OR PREVENTING NEURODEGENERATIVE DISEASE CASP3, DCX, BAX PTGS2 327/4885APP 96/4885MAPT 239/4885

“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.