SCHEMBL11989286

SCHEMBL11989286

COc1cccc(Oc2ccc(C(C)(C)C)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
STAT1 P42224 1/20 0.42
HTT P42858 1/20 0.42
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
FGFR2 P21802 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL11989275 0.85 PPARG (0.40) MAPTL3MBTL1NPSR1RAB9AGAA
SCHEMBL11989236 0.84 HTR2A (0.42) MAPTL3MBTL1NPSR1RAB9AMAPK1
SCHEMBL24999539 0.84 L3MBTL1 (0.51) MAPTL3MBTL1NPSR1KDM4ELMNA
SCHEMBL328387 0.81 MAPK14 (0.54) MAPTL3MBTL1NPSR1KDM4EPOLB
SCHEMBL24999535 0.80 HTR2A (0.43) MAPTL3MBTL1RAB9AMAPK1NPC1
SCHEMBL779089 0.80 ACHE (0.53) MAPTL3MBTL1NPSR1KDM4EPOLB
SCHEMBL27115325 0.79 CYP3A4 (0.43) MAPTL3MBTL1NPSR1GAA
SCHEMBL13009187 0.79 SMN1; SMN2 (0.55) MAPTL3MBTL1NPSR1KDM4EPOLB
SCHEMBL2732542 0.78 KIF11 (0.49) LMNASMN1; SMN2RAB9AMAPK1HTT
SCHEMBL14959583 0.78 MAPT (0.48) MAPTL3MBTL1NPSR1KDM4EPOLB

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 MAPT 3451/4885L3MBTL1 1241/4885NPSR1 2709/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MAPT 4682/4885L3MBTL1 2551/4885NPSR1 2626/4885

“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.