SCHEMBL4846911

SCHEMBL4846911

CC(C)(C)C1CCCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
EPHX1 P07099 1/20 0.39
LIPA P38571 1/20 0.33
ESR2 Q92731 1/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 1/20 0.31
CYP19A1 P11511 1/20 0.30
SHBG P04278 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
SCHEMBL4844027 0.95 TSHR (0.50) TSHREPHX1LIPAHTTMEN1
SCHEMBL4844633 0.95 TSHR (0.47) TSHREPHX1LIPAESR2HTT
SCHEMBL579573 0.89 EPHX1 (0.40) TSHREPHX1LIPAHTTMEN1
SCHEMBL114150 0.89 EPHX1 (0.40) TSHREPHX1LIPAHTTMEN1
SCHEMBL579272 0.89 EPHX1 (0.40) TSHREPHX1LIPAHTTMEN1
SCHEMBL29174199 0.87 EPHX1 (0.39) TSHREPHX1LIPAHTTMEN1
SCHEMBL19121234 0.84 EPHX1 (0.32) TSHREPHX1
SCHEMBL12158781 0.82 EPHX1 (0.36) TSHREPHX1LIPAGLAEPHX2
SCHEMBL22815 0.81
SCHEMBL8390236 0.80 TSHR (0.36) TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2023-08-03 US disclosed
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-09-07 US disclosed
EP-1710223-B1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
EP-2471797-A2 17-Desmethylrapamycin and analogues thereof, methods for their production and their use as immunosupressants, anticancer agents, antifungal agents etc. Biotica Technology Limited (GB) 2012-07-04 EP disclosed
US-7803808-B2 Production of polyketides and other natural products WYETH LLC (US) 2010-09-28 US disclosed
US-20090253732-A1 Production Of Polyketides And Other Natural Products BIOTICA TECHNOLOGY LIMITED 2009-10-08 US disclosed
US-7332632-B2 Method for producing aldehyde compound or ketone compound by using microreactor Ubē Industries, Ltd. (JP) 2008-02-19 US disclosed
US-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor UBE INDUSTRIES, LTD., A CORPORATION OF JAPAN (JP) 2007-06-28 US disclosed
EP-1710223-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR Ube Industries, Ltd. (JP) 2006-10-11 EP 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 (4 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-20090253732-A1 Production Of Polyketides And Other Natural Products PBK, IL15, IL17A TSHR 4351/4885EPHX1 2461/4885LIPA 4849/4885
US-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 TSHR 2628/4885EPHX1 3298/4885LIPA 898/4885
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 TSHR 2628/4885EPHX1 3298/4885LIPA 898/4885
US-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor ADH1C, ADH1A, ALDH1A1 TSHR 2363/4885EPHX1 593/4885LIPA 1505/4885

“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.