SCHEMBL11989262

SCHEMBL11989262

CC(C)(C)c1cc(F)c(Oc2cccc(Oc3ccccc3)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
PTGS1 P23219 1/20 0.40
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NOD2 Q9HC29 1/20 0.38
AKR1C3 P42330 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 1/20 0.37
FABP1 P07148 1/20 0.37
POLB P06746 2/20 0.37
CYP2C9 P11712 2/20 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
SCHEMBL11989251 0.93 LTA4H (0.39) PTGS1LTA4HTSHRMAPTALDH1A1
SCHEMBL25000152 0.85 P2RY1 (0.38) PTGS1MAPTALDH1A1KMT2APOLB
SCHEMBL24998744 0.84 F10 (0.40) MAPTPPARGPPARAPOLBCYP2C9
SCHEMBL24998741 0.83 PPARG (0.46) MAPTALDH1A1PPARGPPARAPOLB
SCHEMBL778774 0.81 MAOB (0.44) MAOBPTGS1LTA4HTSHRMAPT
SCHEMBL8354541 0.80 ALDH1A1 (0.40) PTGS1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL25000151 0.78 SOS1 (0.40) MAOBPTGS1MAPTALDH1A1NPC1
SCHEMBL328395 0.78 MAOB (0.44) MAOBPTGS1LTA4HTSHRMAPT
SCHEMBL14997984 0.77 PTGS1 (0.50) MAOBPTGS1LTA4HTSHRMAPT
SCHEMBL12653305 0.77 ALDH1A1 (0.42) MAOBPTGS1LTA4HTSHRMAPT

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 5 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-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-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

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 MAOB 4608/4885PTGS1 4474/4885LTA4H 1842/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MAOB 4517/4885PTGS1 1232/4885LTA4H 2318/4885

“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.