SCHEMBL363400

SCHEMBL363400

Cc1ccc(C(=O)c2cc(C)ccc2[C]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
AKR1C3 P42330 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
SRD5A2 P31213 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 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
SCHEMBL9712382 0.90 RAB9A (0.48) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL4376001 0.90 POLB (0.49) LMNAMAPTNPC1MAPK1HTT
SCHEMBL9490579 0.88 MAPT (0.53) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL9712546 0.87 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTAKR1C3
SCHEMBL8471201 0.85 ALDH1A1 (0.51) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL8012007 0.85 POLB (0.55) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL7673359 0.82 AKR1C3 (0.61) ALDH1A1LMNAMAPTNPC1AKR1C3
SCHEMBL6462550 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL9782367 0.77 ALDH1A1 (0.60) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL14995290 0.76 MAPT (0.50) ALDH1A1LMNAMAPTNPC1MAPK1

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-9156771-B2 Process for the preparation of enolate salts of 4-fluoro-2-hydroxymethylene-3 oxo-butyrates LONZA LTD (CH) 2015-10-13 US disclosed
US-20130338394-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3 OXO-BUTYRATES LONZA LTD. (CH) 2013-12-19 US disclosed
EP-2593420-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3-OXO-BUTYRATES Lonza Ltd (CH) 2013-05-22 EP disclosed
WO-2012007142-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3-OXO-BUTYRATES LONZA LTD (CH) 2012-01-19 WO disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 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-20130338394-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3 OXO-BUTYRATES ELOVL3, ELOVL1, EEF1B2 ALDH1A1 341/4885LMNA 2023/4885MAPT 3183/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 ALDH1A1 4073/4885LMNA 2447/4885MAPT 3999/4885

“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.