SCHEMBL2340127

SCHEMBL2340127

CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@]1(C)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
USP2 O75604 2/20 1.00
ALDH1A1 P00352 2/20 1.00
CYP3A4 P08684 2/20 1.00
ALOX15 P16050 2/20 1.00
PTGES O14684 4/20 0.84
CRYAB P02511 2/20 0.75
LMNA P02545 1/20 0.75
FNTA P49354 1/20 0.69
FNTB P49356 1/20 0.69
MEN1 O00255 1/20 0.60
PLA2G1B P04054 1/20 0.60
DNMT1 P26358 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
PREP P48147 1/20 0.59
PIN1 Q13526 1/20 0.59
BACE1 P56817 1/20 0.56
CRYAA P02489 1/20 0.54

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
SCHEMBL19194140 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL17431708 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL6130526 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL415761 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL5666302 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL415760 1.00 MAPT (1.00) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL20990912 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL4735043 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL21183478 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15
SCHEMBL21149075 0.92 MAPT (0.85) MAPTUSP2ALDH1A1CYP3A4ALOX15

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-20180042899-A1 Method of Treating Transplant Rejection and Autoimmune Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-15 US disclosed
US-20140050694-A1 Method of Treating Transplant Rejection and Autoimmune Diseases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-20 US disclosed
CN-102245179-A Therapeutic agent for neurological disorders UNIV SHEFFIELD 2011-11-16 CN disclosed
US-20110251230-A1 THERAPEUTICS FOR NEUROLOGICAL DISORDERS UNIVERSITY OF SHEFFIELD (GB) 2011-10-13 US disclosed
EP-2358364-A1 THERAPEUTICS FOR NEUROLOGICAL DISORDERS The University Of Sheffield (GB) 2011-08-24 EP disclosed
WO-2010046710-A1 THERAPEUTICS FOR NEUROLOGICAL DISORDERS UNIVERSITY OF SHEFFIELD (GB) 2010-04-29 WO disclosed
US-20090269772-A1 SYSTEMS AND METHODS FOR IDENTIFYING COMBINATIONS OF COMPOUNDS OF THERAPEUTIC INTEREST THERASIS, INC. 2009-10-29 US disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 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-20110251230-A1 THERAPEUTICS FOR NEUROLOGICAL DISORDERS KEAP1, SMN1; SMN2, NFE2L2 MAPT 123/4885USP2 2228/4885ALDH1A1 379/4885
US-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS MAPT 357/4885USP2 3201/4885ALDH1A1 860/4885

“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.