SCHEMBL11989261

SCHEMBL11989261

CC(C)(C)c1ccc(Oc2ccc3c(c2)OCO3)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
NOS2 P35228 2/20 0.42
TRPV1 Q8NER1 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAOB P27338 4/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL11989287 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1LMNAHSP90AA1MAPT
SCHEMBL778933 0.82 NPC1 (0.50) ALDH1A1MAPK1LMNAMAPTNOS2
SCHEMBL22069606 0.79 MAPK1 (0.65) ALDH1A1MAPK1LMNAMAPTNOS2
SCHEMBL15597020 0.79 MAPK1 (0.49) ALDH1A1MAPK1LMNANOS2KMT2A
SCHEMBL11990098 0.78 NPC1 (0.47) ALDH1A1MAPK1LMNAMAPTNOS2
SCHEMBL14997972 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1LMNANOS2KMT2A
SCHEMBL24999535 0.78 HTR2A (0.43) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL11989280 0.76 HSPB1 (0.46) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL6897658 0.76 ALDH1A1 (0.58) ALDH1A1MAPK1MAPTNOS2KMT2A
SCHEMBL12238989 0.76 ROCK2 (0.54) ALDH1A1MAPK1NOS2KMT2ANPC1

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 2 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-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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 (1 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 ALDH1A1 4310/4885MAPK1 2110/4885LMNA 1700/4885

“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.