SCHEMBL21800873

SCHEMBL21800873

CC1(C)C(C(=O)O)C[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
CD81 P60033 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
SLC6A4 P31645 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 3/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR3 O14843 1/20 0.35
THRB P10828 1/20 0.35
PMP22 Q01453 1/20 0.35
GRM4 Q14833 4/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL15352277 1.00 APLNR (0.42) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL6382497 1.00 APLNR (0.42) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL6121809 1.00 APLNR (0.42) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL965467 0.90 CD81 (0.46) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL6561197 0.90 CD81 (0.46) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL6561035 0.90 CD81 (0.46) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL1348823 0.90 CD81 (0.46) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL963070 0.90 CD81 (0.46) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL10046563 0.86 CD81 (0.37) APLNRCD81SLC1A2SLC1A1SLC6A4
SCHEMBL23826187 0.84 CD81 (0.36) APLNRCD81SLC1A2SLC1A1MEN1

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-20220177439-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2022-06-09 US disclosed
US-11034718-B2 C-3 novel triterpenone with C-17 reverse amide derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2021-06-15 US disclosed
US-20200087342-A1 C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2020-03-19 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-11034718-B2 C-3 novel triterpenone with C-17 reverse amide derivatives as HIV inhibitors IL17A, CDK17, CCR3 APLNR 3061/4885CD81 1298/4885SLC1A2 4766/4885
US-20220177439-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS CYP51A1, CCR5, HSD17B7 APLNR 4799/4885CD81 888/4885SLC1A2 4815/4885
US-20200087342-A1 C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS IL17A, CDK17, CCR3 APLNR 3061/4885CD81 1298/4885SLC1A2 4766/4885

“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.