SCHEMBL678212

SCHEMBL678212

COc1cc(C(=O)Cl)cc(CO)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.42
PDE4A P27815 6/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE5A O76074 5/20 0.38
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1C Q14123 4/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL16077681 0.85 CA12 (0.55) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL14732689 0.85 LMNA (0.55) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL10354178 0.83 MEN1 (0.46) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL15171954 0.83 MAPT (0.45) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL16884962 0.81 ALDH1A1 (0.47) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL17708318 0.81 PDE4A (0.40) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL408803 0.81 HTR2A (0.43) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL129806 0.78 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL13304426 0.75 TP53 (0.51) MEN1KMT2ARXFP1ALDH1A1
SCHEMBL13418645 0.74 HTT (0.43) PDE4DPDE4APDE4BPDE4CTSHR

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 15 patents. 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-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-9498448-B2 Pharmaceutical compositions comprising monoterpenes NeOne Technologies, Inc. (US) 2016-11-22 US disclosed
US-20160332942-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2016-11-17 US disclosed
US-9480659-B2 Pharmaceutical compositions comprising monoterpenes Neonc Technologies, Inc. (US) 2016-11-01 US disclosed
US-20160158162-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2016-06-09 US disclosed
US-20160039730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA 2016-02-11 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-8889678-B2 Acyl guanidine derivatives modulating the hedgehog protein signaling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-18 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-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway UNIVERSITE DE STRASBOURG (FR) 2012-08-02 US disclosed
US-20110280860-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NEONC TECHNOLOGIES INC. 2011-11-17 US 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 (9 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-20160332942-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885
US-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway SHH, GLI1, SMO PDE4D 211/4885PDE4A 262/4885PDE4B 310/4885
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885
US-20110280860-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885
US-20160158162-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885
US-20150368173-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885
US-20160039730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885
US-20170088494-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885
US-20130303807-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PDE4D 1319/4885PDE4A 1217/4885PDE4B 894/4885

“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.