SCHEMBL678301

SCHEMBL678301

C=C(C)[C@@H]1CC=C(COC(=O)c2ccc(OC)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 2/20 0.49
CYP1B1 Q16678 1/20 0.49
CES2 O00748 1/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ESR2 Q92731 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL674176 0.87 ALOX15 (0.50) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL674829 0.83 ALDH1A1 (0.46) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL676708 0.82 ALOX15 (0.47) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL4785327 0.80 ALOX15 (0.50) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL16002382 0.80 ALOX15 (0.62) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL1302136 0.80 ALOX15 (0.62) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL16774726 0.77 ALOX15 (0.59) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL10081724 0.77 ALOX15 (0.59) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL17522709 0.77 ALOX15 (0.59) ALDH1A1ALOX15CYP1B1CES2TSHR
SCHEMBL207377 0.77 ALOX15 (0.59) ALDH1A1ALOX15CYP1B1CES2TSHR

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 30 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-20210130271-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NIH - DEITR 2021-05-06 US disclosed
EP-2542082-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (S)-perillyl alcohol NEONC TECH INC (US) 2020-05-06 EP disclosed
US-20200131106-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2020-04-30 US disclosed
US-10457618-B2 Pharmaceutical compositions comprising monoterpenes Neonc Technologies, Inc. (US) 2019-10-29 US disclosed
US-9700524-B2 Pharmaceutical compositions comprising monoterpenes NEONC TECHNOLOGIES INC. (US) 2017-07-11 US disclosed
US-9700524-B2 Pharmaceutical compositions comprising monoterpenes NEONC TECHNOLOGIES INC. (US) 2017-07-11 US disclosed
US-20170088494-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NATIONAL INSTITUTES OF HEALTH 2017-03-30 US disclosed
US-20170088494-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NATIONAL INSTITUTES OF HEALTH 2017-03-30 US disclosed
US-20150368173-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2015-12-24 US disclosed
US-20150368173-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2015-12-24 US disclosed
US-9133085-B2 Pharmaceutical compositions comprising monoterpenes NEONC TECHNOLOGIES INC (US) 2015-09-15 US disclosed
US-9133085-B2 Pharmaceutical compositions comprising monoterpenes NEONC TECHNOLOGIES INC (US) 2015-09-15 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-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 (8 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-10457618-B2 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-20150368173-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 ALDH1A1 793/4885ALOX15 35/4885CYP1B1 26/4885
US-20200131106-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 ALDH1A1 793/4885ALOX15 35/4885CYP1B1 26/4885
US-20170088494-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 ALDH1A1 793/4885ALOX15 35/4885CYP1B1 26/4885
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.