SCHEMBL674829

SCHEMBL674829

C=C(C)[C@@H]1CC=C(COC(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 2/20 0.46
CYP1B1 Q16678 1/20 0.46
CES2 O00748 1/20 0.46
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL674777 0.89 ALDH1A1 (0.46) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL674285 0.89 ALDH1A1 (0.46) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL674176 0.84 ALOX15 (0.50) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL678301 0.83 ALDH1A1 (0.49) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL26300887 0.80 CES2 (0.47) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL4785327 0.77 ALOX15 (0.50) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL1302136 0.77 ALOX15 (0.62) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL10081724 0.75 ALOX15 (0.59) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL19919386 0.75 ALOX15 (0.62) ALDH1A1ALOX15CYP1B1CES2MAPK1
SCHEMBL16774726 0.75 ALOX15 (0.59) ALDH1A1ALOX15CYP1B1CES2MAPK1

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 52 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
WO-2022104041-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. (US) 2022-05-19 WO disclosed
US-20210130271-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NIH - DEITR 2021-05-06 US 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
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
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 (6 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-20210130271-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.