SCHEMBL674777

SCHEMBL674777

C=C(C)[C@@H]1CC=C(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 2/20 0.46
CYP1B1 Q16678 1/20 0.46
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
CES2 O00748 1/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
MGMT P16455 1/20 0.38

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
SCHEMBL674285 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL12324194 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL674829 0.89 ALDH1A1 (0.46) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL4785327 0.82 ALOX15 (0.50) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL28534875 0.81 CES2 (0.44) ALDH1A1MAPK1CES2NPC1PTPN2
SCHEMBL676708 0.79 ALOX15 (0.47) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL674176 0.77 ALOX15 (0.50) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL16002382 0.77 ALOX15 (0.62) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL1302136 0.77 ALOX15 (0.62) ALDH1A1ALOX15CYP1B1TSHRMAPK1
SCHEMBL678301 0.76 ALDH1A1 (0.49) ALDH1A1ALOX15CYP1B1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-18 US disclosed
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-18 US disclosed
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-18 US disclosed
US-20230405125-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. 2023-12-21 US disclosed
EP-4243794-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. (US) 2023-09-20 EP disclosed
CN-116615197-A Treatment of recurrent glioblastoma with perillyl alcohol NeOnc技术股份有限公司 2023-08-18 CN disclosed
WO-2022104041-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. (US) 2022-05-19 WO disclosed
EP-3769754-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES Neonc Technologies, Inc. (US) 2021-01-27 EP disclosed
US-10899691-B2 Pharmaceutical compositions comprising monoterpenes Neonc Technologies, Inc. (US) 2021-01-26 US disclosed
EP-2542082-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (S)-perillyl alcohol NEONC TECH INC (US) 2020-05-06 EP disclosed
US-20130303807-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2013-11-14 US disclosed
US-20130303807-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2013-11-14 US disclosed
US-20130303807-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2013-11-14 US disclosed
US-8507734-B2 Pharmaceutical compositions comprising monoterpenes NEONC TECHNOLOGIES INC. (US) 2013-08-13 US disclosed
US-8507734-B2 Pharmaceutical compositions comprising monoterpenes NEONC TECHNOLOGIES INC. (US) 2013-08-13 US disclosed
US-8507734-B2 Pharmaceutical compositions comprising monoterpenes NEONC TECHNOLOGIES INC. (US) 2013-08-13 US disclosed
EP-2542082-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES Neonc Technologies Inc. (US) 2013-01-09 EP disclosed
US-20110280860-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NEONC TECHNOLOGIES INC. 2011-11-17 US disclosed
US-20110280860-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NEONC TECHNOLOGIES INC. 2011-11-17 US disclosed
WO-2011109635-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NEONC TECHNOLOGIES INC. (US) 2011-09-09 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 (5 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-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 ALDH1A1 793/4885ALOX15 35/4885CYP1B1 26/4885
US-20110280860-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 ALDH1A1 793/4885ALOX15 35/4885CYP1B1 26/4885
US-10899691-B2 Pharmaceutical compositions comprising monoterpenes SQLE, DHPS, GGPS1 ALDH1A1 793/4885ALOX15 35/4885CYP1B1 26/4885
US-20230405125-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL IDH3A, IDH1, IDH3B ALDH1A1 162/4885ALOX15 1329/4885CYP1B1 2195/4885
US-20130303807-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 ALDH1A1 793/4885ALOX15 35/4885CYP1B1 26/4885

“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.