SCHEMBL12249339

SCHEMBL12249339

CC(C)c1c(O)c(O)c2c(c1O)C(C)C(C)C1C(C)(C)CCCC21C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.37
▸ CYP3A4 P08684 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ FDPS P14324 9/20 0.33
▸ BCL9 O00512 3/20 0.33
▸ CTNNB1 P35222 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ PTGES O14684 2/20 0.33
▸ PNLIP P16233 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ GSTO1 P78417 1/20 0.33

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
SCHEMBL12249334 0.79 CYP19A1 (0.43) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL12249340 0.74 FDPS (0.48) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL22861906 0.65 EP300 (0.40) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL21291523 0.65 EP300 (0.40) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL22862032 0.65 EP300 (0.40) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL21291508 0.65 EP300 (0.40) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL18290368 0.65 FDPS (0.43) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL18290309 0.60 FDPS (0.49) USP2CYP3A4MAPTMEN1KMT2A
6-Alpha-Hydroxydemethyl-Cryptojaponol SCHEMBL18290237 0.60 SOD1 (0.54) USP2CYP3A4MAPTMEN1KMT2A
SCHEMBL18290361 0.60 FDPS (0.49) USP2CYP3A4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466311-B2 Neuroprotective compositions and methods SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-06-18 — — US disclosed
US-20120296112-A1 Neuroprotective Compositions and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 — — US disclosed
US-8022246-B2 Neuroprotective compositions and methods THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-09-20 — — US disclosed
US-20090042980-A1 Neuroprotective compositions and methods BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-12 — — 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-20090042980-A1 Neuroprotective compositions and methods KEAP1, NFE2L2, NQO1 USP2 2063/4885CYP3A4 4206/4885MAPT 506/4885
US-20120296112-A1 Neuroprotective Compositions and Methods KEAP1, NFE2L2, NQO1 USP2 2063/4885CYP3A4 4206/4885MAPT 506/4885

“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.

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