SCHEMBL12150545

SCHEMBL12150545

CC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.85
PRKCD Q05655 1/20 0.85
NR1H4 Q96RI1 1/20 0.75
SLC10A1 Q14973 1/20 0.67
ALB P02768 2/20 0.62
PTPN1 P18031 2/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
HIF1A Q16665 1/20 0.62
AKR1B10 O60218 1/20 0.62
POLB P06746 1/20 0.62
GLI1 P08151 1/20 0.62
AKR1B1 P15121 1/20 0.62
NT5E P21589 1/20 0.62
DPP4 P27487 1/20 0.62
RORC P51449 1/20 0.62
SAE1 Q9UBE0 1/20 0.62
UBA2 Q9UBT2 1/20 0.62
EGLN2 Q96KS0 1/20 0.60
EGLN1 Q9GZT9 1/20 0.60

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
SCHEMBL17124221 1.00 GPBAR1 (0.85) GPBAR1PRKCDNR1H4SLC10A1ALB
Dihydrobetulinic Acid SCHEMBL14071702 0.92 GPBAR1 (1.00) GPBAR1PRKCDNR1H4SLC10A1ALB
Dihydrobetulinic Acid SCHEMBL3781854 0.92 GPBAR1 (1.00) GPBAR1PRKCDNR1H4SLC10A1ALB
Dihydrobetulinic Acid SCHEMBL16512008 0.92 GPBAR1 (1.00) GPBAR1PRKCDNR1H4SLC10A1ALB
Dihydrobetulinic Acid SCHEMBL14086957 0.92 GPBAR1 (1.00) GPBAR1PRKCDNR1H4SLC10A1ALB
Dihydrobetulinic Acid SCHEMBL23284046 0.92 GPBAR1 (1.00) GPBAR1PRKCDNR1H4SLC10A1ALB
Dihydrobetulinic Acid SCHEMBL14837675 0.92 GPBAR1 (1.00) GPBAR1PRKCDNR1H4SLC10A1ALB
SCHEMBL13759954 0.91 GPBAR1 (0.83) GPBAR1PRKCDNR1H4SLC10A1ALB
SCHEMBL15374776 0.90 GPBAR1 (0.68) GPBAR1PRKCDNR1H4
SCHEMBL3780915 0.89 GPBAR1 (0.80) GPBAR1PRKCDNR1H4SLC10A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 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 (3 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP GPBAR1 4472/4885PRKCD 1931/4885NR1H4 3359/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP GPBAR1 4472/4885PRKCD 1931/4885NR1H4 3359/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP GPBAR1 4472/4885PRKCD 1931/4885NR1H4 3359/4885

“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.