SCHEMBL19208963

SCHEMBL19208963

O=C1CCC(CO)(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16661071 0.89 DDB1 (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL3654430 0.87 DDB1 (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL16875197 0.87 DDB1 (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL21915775 0.86 DDB1 (0.50) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL18548333 0.86 DDB1 (0.50) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL25787780 0.83 DDB1 (0.57) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL19208947 0.82 KMT2A (0.55) DDB1CRBNALDH1A1L3MBTL1SLC6A2
SCHEMBL19259236 0.82 DDB1 (0.48) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL22294005 0.81 KMT2A (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL3021875 0.81 DDB1 (0.55) DDB1CRBNALDH1A1MAPK1L3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-21 US disclosed
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-21 US disclosed
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-21 US disclosed
EP-3831839-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-07-26 EP disclosed
EP-3831839-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-07-26 EP disclosed
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 US disclosed
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 US disclosed
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2021-08-10 US disclosed
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2021-08-10 US disclosed
EP-3831839-A2 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS ViiV Healthcare UK (No.5) Limited (GB) 2021-06-09 EP disclosed
CN-109153700-B C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV保健英国第五有限公司 2021-03-09 CN disclosed
EP-3411381-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2021-01-20 EP disclosed
EP-3411381-B1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2021-01-20 EP disclosed
US-10421774-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2019-09-24 US disclosed
US-10421774-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2019-09-24 US disclosed
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 US disclosed
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 US disclosed
EP-3411381-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2018-12-12 EP disclosed
WO-2017134596-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2017-08-10 WO disclosed
WO-2017134596-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2017-08-10 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 (5 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-10421774-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors IL17A, BET1, CD4 DDB1 1398/4885CRBN 3680/4885ALDH1A1 2551/4885
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors IL17A, BET1, CD4 DDB1 1398/4885CRBN 3680/4885ALDH1A1 2551/4885
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 DDB1 1398/4885CRBN 3680/4885ALDH1A1 2551/4885
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 DDB1 1398/4885CRBN 3680/4885ALDH1A1 2551/4885
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 DDB1 1398/4885CRBN 3680/4885ALDH1A1 2551/4885

“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.