SCHEMBL744322

SCHEMBL744322

COc1[c]c(OC)c(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CA9 Q16790 1/20 0.43
PTGS2 P35354 1/20 0.40
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTAFR P25105 2/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34

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
SCHEMBL2302753 0.80 ACHE (0.38) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL4595713 0.80 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL28942504 0.78 ACHE (0.41) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL2828160 0.78 GAA (0.32) ACHECYP3A4MAPTCA9GAA
SCHEMBL28942483 0.78 ACHE (0.41) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL7679493 0.77 ACHE (0.34) ACHEALDH1A1
SCHEMBL2203957 0.74 MGAM (0.47) GAAALDH1A1MEN1KMT2A
SCHEMBL2862955 0.74 KDM4E (0.37) CYP3A4MAPTGAACYP1A2KDM4E
SCHEMBL27595235 0.74 HTR2A (0.43) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL8617732 0.73 CA9 (0.50) ACHECYP3A4MAPTCA9PTGS2

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-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US claimed
EP-2190466-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF Burnham Institute for Medical Research (US) 2010-06-02 EP claimed
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 US claimed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 EP claimed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO claimed
WO-2009042294-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-02 WO claimed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US claimed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO claimed
US-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 US claimed
WO-2020071470-A1 PHTHALOCYANINE COMPOUND AND USE THEREOF 山本化成株式会社 2020-04-09 WO disclosed
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP disclosed
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US disclosed
CN-102438452-B Compounds and compositions comprising CDK inhibitors and methods for treating cancer UNIV GEORGIA STATE RES FOUND 2015-02-25 CN disclosed
US-8466177-B2 Treating and preventing viral infections THE UAB RESEARCH FOUNDATION (US) 2013-06-18 US disclosed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 EP disclosed
WO-2009059243-A1 TREATING AND PREVENTING VIRAL INFECTIONS THE UAB RESEARCH FOUNDATION (US) 2009-05-07 WO disclosed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009042294-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-02 WO disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 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 (2 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-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING GNAI1, GNAI3, GNAI2 ACHE 1991/4885CYP3A4 4860/4885MAPT 3637/4885
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF ALPL, ALPP, ACP3 ACHE 777/4885CYP3A4 4763/4885MAPT 4267/4885

“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.