SCHEMBL17332124

SCHEMBL17332124

CC(C)OC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.41
▸ ROCK2 O75116 9/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL17332084 0.89 MAOA (0.36) SRD5A1ROCK2BAZ2BMAOAMAOB
SCHEMBL17332070 0.88 ROCK2 (0.38) ROCK2BAZ2BMAOAMAOBPRKCI
SCHEMBL17332076 0.88 ROCK2 (0.44) SRD5A1ROCK2BAZ2BALDH1A1MAOA
SCHEMBL17332154 0.87 ADRB2 (0.37) ROCK2BAZ2BALDH1A1MAOAMAOB
SCHEMBL17332111 0.85 PRF1 (0.46) SRD5A1CA12CA1CA2CA7
SCHEMBL14966534 0.84 BAZ2B (0.46) SRD5A1ROCK2BAZ2BALDH1A1MAOA
SCHEMBL17332107 0.83 LMNA (0.40) ROCK2BAZ2BALDH1A1MAOAMAOB
SCHEMBL17332122 0.83 SRD5A2 (0.49) SRD5A1ROCK2BAZ2BALDH1A1MAOA
SCHEMBL17332112 0.83 BAZ2B (0.36) ROCK2BAZ2BALDH1A1MAOAMAOB
SCHEMBL17332141 0.83 MAOA (0.36) SRD5A1ROCK2BAZ2BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192875-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2021-12-07 — — US disclosed
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-12-17 — — US disclosed
US-10584109-B2 Processes for preparing antiviral compounds Gillead Pharmasset LLC (US) 2020-03-10 — — US disclosed
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-08-29 — — US disclosed
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2018-06-28 — — US disclosed
US-9890134-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2018-02-13 — — US disclosed
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 — — US disclosed
US-9670187-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-06 — — US disclosed
EP-3154984-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2017-04-19 — — EP disclosed
WO-2015191437-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2015-12-17 — — WO disclosed
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-17 — — 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 (7 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-10584109-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 SRD5A1 1384/4885ROCK2 3608/4885CA12 4474/4885
US-11192875-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 SRD5A1 1384/4885ROCK2 3608/4885CA12 4474/4885
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 SRD5A1 1384/4885ROCK2 3608/4885CA12 4474/4885
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 SRD5A1 1384/4885ROCK2 3608/4885CA12 4474/4885
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 SRD5A1 1384/4885ROCK2 3608/4885CA12 4474/4885
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 SRD5A1 1384/4885ROCK2 3608/4885CA12 4474/4885
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 SRD5A1 1384/4885ROCK2 3608/4885CA12 4474/4885

“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.

Send feedback