SCHEMBL3363388

SCHEMBL3363388

C[C@]12CCC(O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)C(O)C[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.70
SERPINA6 P08185 3/20 0.70
ESR1 P03372 1/20 0.70
AR P10275 1/20 0.70
ESR2 Q92731 1/20 0.70
CYP17A1 P05093 10/20 0.66
TBXAS1 P24557 1/20 0.66
SRD5A2 P31213 1/20 0.66
G6PD P11413 3/20 0.64
LMNA P02545 3/20 0.63
MEN1 O00255 1/20 0.63
GUSB P08236 1/20 0.63
CYP3A4 P08684 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
GPBAR1 Q8TDU6 1/20 0.63
TSHR P16473 1/20 0.63

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
SCHEMBL6333841 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL1418667 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL29934843 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL10301223 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL1418669 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL1419890 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL29934586 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
SCHEMBL29934837 1.00 SHBG (0.70) SHBGSERPINA6ESR1ARESR2
Sulfuric Acid SCHEMBL22717101 0.94 SHBG (0.63) SHBGSERPINA6ESR1ARESR2
Sulfuric Acid SCHEMBL22717128 0.94 SHBG (0.63) SHBGSERPINA6ESR1ARESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SHBG 595/4885SERPINA6 409/4885ESR1 846/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 SHBG 1022/4885SERPINA6 276/4885ESR1 801/4885

“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.