SCHEMBL14948516

SCHEMBL14948516

COC(CO)(OC)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL24327726 0.78 MAPT (0.41) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL28756655 0.74 MAPT (0.50) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL14935736 0.73 MAPT (0.40) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL6609230 0.72 MAPT (0.49) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL15272291 0.71 MAPT (0.47) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL12390037 0.71 MAPT (0.43) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL17140165 0.71 MAPT (0.43) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL5149643 0.71 MAPT (0.40) MAPTALDH1A1MEN1KMT2ACES2
SCHEMBL8355767 0.69 MAPT (0.38) MAPTALDH1A1MEN1POLBKMT2A
Methoxymethane SCHEMBL28252357 0.69 MAPT (0.50) MAPTALDH1A1MEN1POLBKMT2A

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-20170182062-A1 4-PREGENEN-11BETA-17-21-TRIOL-3,20-DIONE DERIVATIVES ALLERGAN, INC. 2017-06-29 US disclosed
US-9433631-B2 4-pregenen-11β-17-21-triol-3,20-dione derivatives ALLERGAN, INC. (US) 2016-09-06 US disclosed
US-20150057258-A1 4-PREGENEN-11BETA-17-21-TRIOL-3,20-DIONE DERIVATIVES ALLERGAN, INC. 2015-02-26 US disclosed
US-8906892-B2 4-pregenen-11β-17-21-triol-3,20-dione derivatives ALLERGAN, INC. (US) 2014-12-09 US disclosed
US-20130123223-A1 4-PREGENEN-11BETA-17-21-TRIOL-3,20-DIONE DERIVATIVES ALLERGAN, INC. (US) 2013-05-16 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 (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-20130123223-A1 4-PREGENEN-11BETA-17-21-TRIOL-3,20-DIONE DERIVATIVES NR3C2, HSD3B1, HSD3B2 MAPT 2235/4885ALDH1A1 2459/4885MEN1 1763/4885
US-20170182062-A1 4-PREGENEN-11BETA-17-21-TRIOL-3,20-DIONE DERIVATIVES NR3C2, HSD3B1, HSD3B2 MAPT 2235/4885ALDH1A1 2459/4885MEN1 1763/4885
US-20150057258-A1 4-PREGENEN-11BETA-17-21-TRIOL-3,20-DIONE DERIVATIVES NR3C2, HSD3B1, HSD3B2 MAPT 2235/4885ALDH1A1 2459/4885MEN1 1763/4885

“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.