SCHEMBL9768982

SCHEMBL9768982

CC(=O)C(C)(C)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KCNN4 O15554 7/20 0.48
HSD11B1 P28845 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL9293066 0.88 KMT2A (0.46) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL23003615 0.84 KCNN4 (0.50) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL20312568 0.82 MEN1 (0.48) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL1421745 0.82 APP (0.49) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL22937461 0.80 RAB9A (0.47) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL11286874 0.80 KMT2A (0.47) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL2634475 0.80 KCNN4 (0.63) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL13427572 0.79 KCNN4 (0.61) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL1107165 0.79 TSHR (0.50) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL13313605 0.79 ESR1 (0.54) KMT2AMAPTMEN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106742-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. 2016-04-21 US disclosed
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
US-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
US-5030625-A Applying to phytopathogen SANDOZ LTD. (CH) 1991-07-09 US disclosed
EP-0191269-B1 NOVEL HOMOPROPARGYLAMINES SANDOZ AG (CH) 1991-03-06 EP disclosed
US-4684661-A Anti-fungal homopropargylamines, compositions, and method of use therefor SANDOZ LTD. (CH) 1987-08-04 US disclosed
EP-0191269-A2 Novel homopropargylamines SANDOZ AG (CH) 1986-08-20 EP 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 (3 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-20160106742-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 KMT2A 1401/4885MAPT 3114/4885MEN1 3741/4885
US-20070066582-A1 Diaminoalcohols as therapeutic compounds CTSD, CTSL, CTSC KMT2A 3003/4885MAPT 454/4885MEN1 2326/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KMT2A 3647/4885MAPT 1300/4885MEN1 1572/4885

“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.