SCHEMBL5548778

SCHEMBL5548778

COc1c(C=O)cccc1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
SRC P12931 1/20 0.45
ERN1 O75460 2/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
MCL1 Q07820 1/20 0.40
NFE2L2 Q16236 2/20 0.40
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL1252425 0.82 CA1 (0.42) CA1CA2SRCLMNAALDH1A1
SCHEMBL2787203 0.82 CA1 (0.73) CA1CA2SRCERN1TLR2
SCHEMBL1446630 0.82 CA1 (0.42) CA1CA2SRCERN1TLR2
SCHEMBL14999530 0.81 NFE2L2 (0.40) CA1CA2NFE2L2LMNACYP1A2
SCHEMBL16959642 0.81 GABRA1 (0.42) CA1CA2NFE2L2LMNACYP1A2
SCHEMBL15003032 0.80 NFE2L2 (0.45) CA1CA2NFE2L2LMNACYP1A2
SCHEMBL1253571 0.80 ALDH1A1 (0.41) CA1CA2ERN1ALDH1A1TSHR
SCHEMBL5548772 0.80 GABRA1 (0.50) CA1CA2LMNACYP1A2ALDH1A1
SCHEMBL16253608 0.77 NFE2L2 (0.37) CA1CA2NFE2L2LMNACYP1A2
SCHEMBL11440560 0.77 CA1 (0.61) CA1CA2SRCERN1TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027215-A1 Nuclear receptor ligands and ligand binding domains THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-01 US disclosed
EP-0873361-B1 Crystals of the ligand-binding domain of the thyroid hormone receptor complexed to a ligand UNIV CALIFORNIA (US) 2006-11-02 EP disclosed
US-7122579-B2 Eye treatments using synthetic thyroid hormone compositions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-10-17 US disclosed
US-20030175849-A1 Eye treatments using synthetic thyroid hormone compositions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-18 US disclosed
WO-2003039456-A2 PROCESS FOR THE PREPARATION OF ANILINE-DERIVED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO disclosed
US-6555582-B1 Topically applying a synthetic thyroid hormone to inhibit hyaluronic acid secretion to treat elevated intraocular pressure and glaucoma THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-29 US disclosed
EP-0873361-A4 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS UNIV CALIFORNIA (US) 2002-10-23 EP disclosed
EP-1003530-A4 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS UNIV CALIFORNIA (US) 2001-10-04 EP disclosed
US-6236946-B1 Nuclear receptor ligands and ligand binding domains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-05-22 US disclosed
EP-1034184-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS The Regents of the University of California (US) 2000-09-13 EP disclosed
EP-1003530-A1 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS The Regents of the University of California (US) 2000-05-31 EP disclosed
US-6054485-A FOR TREATMENT OF GLAUCOMA REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-04-25 US disclosed
WO-1999026966-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-06-03 WO disclosed
EP-0873361-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-28 EP disclosed
WO-1998007435-A9 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS 1998-08-06 WO disclosed
WO-1998007435-A1 EYE TREATMENTS USING SYNTHETIC THYROID HORMONE COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-02-26 WO disclosed
WO-1997021993-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-06-19 WO 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-20070027215-A1 Nuclear receptor ligands and ligand binding domains TSHR, NR5A2, THRA CA1 4530/4885CA2 4453/4885SRC 630/4885
US-20030175849-A1 Eye treatments using synthetic thyroid hormone compositions ADAMTS5, TRHDE, ADAMTS1 CA1 815/4885CA2 372/4885SRC 3713/4885

“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.