SCHEMBL8358334

SCHEMBL8358334

CC(C)(C)c1ccc(Oc2ccc3c(c2)CCCC3)nc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 1/20 0.44
HRH3 Q9Y5N1 15/20 0.43
THRB P10828 1/20 0.42
HRH1 P35367 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL778932 0.81 NPC1 (0.49) KDM4ERAB9AOPRM1OPRD1HRH3
SCHEMBL11989252 0.81 ALDH1A1 (0.50) RAB9AHRH3MAPK1
SCHEMBL12653312 0.79 OPRM1 (0.46) OPRM1OPRD1OPRK1HRH3HRH1
SCHEMBL328389 0.78 HRH3 (0.46) HRH3HRH1
SCHEMBL14997973 0.78 HRH3 (0.47) OPRM1OPRD1OPRK1HRH3HRH1
SCHEMBL6176295 0.75 KDM4E (0.54) KDM4EPOLBRAB9AOPRM1OPRD1
SCHEMBL11989279 0.75 THRB (0.55) KDM4EPOLBRAB9ATHRBMAPK1
SCHEMBL14380137 0.75 ALDH1A1 (0.57) KDM4EPOLBOPRM1OPRD1OPRK1
SCHEMBL13009068 0.74 RAB9A (0.64) KDM4EPOLBRAB9ATHRBMAPK1
SCHEMBL12619318 0.74 RAB9A (0.49) KDM4EPOLBRAB9ATHRBMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
WO-2007084488-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2007-07-26 WO disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 KDM4E 4160/4885POLB 1793/4885RAB9A 661/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 KDM4E 1053/4885POLB 4850/4885RAB9A 1471/4885

“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.