SCHEMBL19208947

SCHEMBL19208947

O=C1CCC(COC(=O)c2ccccc2)(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL15167016 0.86 MEN1 (0.45) KMT2ATDP1LMNAALDH1A1RAB9A
SCHEMBL19208963 0.82 DDB1 (0.53) KMT2ATDP1SLC6A2SLC6A3DDB1
SCHEMBL19259236 0.82 DDB1 (0.48) KMT2ATDP1SLC6A2SLC6A3DDB1
SCHEMBL16875197 0.81 DDB1 (0.52) KMT2ATDP1SLC6A2SLC6A3DDB1
SCHEMBL3654430 0.81 DDB1 (0.52) KMT2ATDP1SLC6A2SLC6A3DDB1
SCHEMBL25787780 0.78 DDB1 (0.57) KMT2ATDP1SLC6A2SLC6A3DDB1
SCHEMBL18650 0.77 LMNA (0.45) KMT2ADDB1CRBNLMNAALDH1A1
SCHEMBL19208966 0.76 KMT2A (0.41) KMT2ATDP1SLC6A2SLC6A3DDB1
SCHEMBL3021875 0.75 DDB1 (0.55) KMT2ATDP1SLC6A2SLC6A3DDB1
SCHEMBL23135459 0.74 ALDH1A1 (0.50) KMT2ATDP1SLC6A2SLC6A3DDB1

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 20 patents. 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
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
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 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-11084845-B2 C-3 and C-17 modified triterpenoids as HIV-1 inhibitors IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-20230295220-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885
US-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 KMT2A 4547/4885TDP1 3081/4885SLC6A2 4795/4885

“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.