SCHEMBL2461602

SCHEMBL2461602

CC(C)(C)c1cc(Cc2cc(C=O)c(O)c(C(C)(C)C)c2)cc(C=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HIF1A Q16665 3/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
BLM P54132 2/20 0.53
ATM Q13315 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
CYP2D6 P10635 1/20 0.53
HSPA5 P11021 2/20 0.46
GAA P10253 4/20 0.44
LMNA P02545 3/20 0.44
GSR P00390 2/20 0.44
GABBR2 O75899 2/20 0.43
GABBR1 Q9UBS5 2/20 0.43

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
SCHEMBL4143769 0.88 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL917208 0.86 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL31489807 0.86 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL29475419 0.86 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL15151745 0.81 GAA (0.46) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL12904884 0.81 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL9174814 0.80 ERN1 (0.56) MAPTLMNAERN1
SCHEMBL39559 0.80 ALDH1A1 (0.63) ALDH1A1TSHRMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL918378 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL10080181 0.80 GAA (0.45) ALDH1A1TSHRMAPK1MEN1KMT2A

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-20130137841-A1 SELF-ASSEMBLED MULTI-NUCLEAR CATALYST FOR OLEFIN POLYMERIZATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-05-30 US disclosed
EP-2550308-A1 SELF-ASSEMBLED MULTI-NUCLEAR CATALYST FOR OLEFIN POLYMERIZATION Agency For Science, Technology And Research (SG) 2013-01-30 EP disclosed
WO-2011119116-A1 SELF-ASSEMBLED MULTI-NUCLEAR CATALYST FOR OLEFIN POLYMERIZATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-09-29 WO disclosed
US-6903043-B2 Chiral polymeric salen catalyst, and a process for preparing chiral compounds from racemic epoxides by using them RSTECH CO., LTD. (KR) 2005-06-07 US disclosed
US-20040054201-A1 Chiral polymeric salen catalyst, and a process for preparing chiral compounds from racemic epoxides by using them RSTECH CO., LTD. (KR) 2004-03-18 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-20040054201-A1 Chiral polymeric salen catalyst, and a process for preparing chiral compounds from racemic epoxides by using them EPHX2, GNE, EPHX1 ALDH1A1 156/4885TSHR 4864/4885MAPK1 4504/4885

“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.