SCHEMBL19631749

SCHEMBL19631749

CCOC(=O)C1(CF)CCC(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL3815212 0.86 POLB (0.36) POLBMAPK1KDM4ELMNAMEN1
SCHEMBL3815209 0.86 POLB (0.36) POLBMAPK1KDM4ELMNAMEN1
SCHEMBL10203579 0.86 POLB (0.36) POLBMAPK1KDM4ELMNAMEN1
SCHEMBL1752084 0.85 ALDH1A1 (0.39) POLBMAPK1LMNAMEN1KMT2A
SCHEMBL6092422 0.80 SMN1; SMN2 (0.37) POLBKDM4EMEN1KMT2AGAA
SCHEMBL26704563 0.80 SLC6A4 (0.35) POLBMAPK1KDM4ELMNAKMT2A
SCHEMBL27634574 0.79 MAPK1 (0.37) POLBMAPK1KDM4ELMNAMEN1
SCHEMBL24515538 0.79 ALDH1A1 (0.34) POLBMAPK1KDM4ELMNAMEN1
SCHEMBL5180 0.79 MAPK1 (0.55) POLBMAPK1KDM4ELMNAMEN1
SCHEMBL5270 0.79 MAPK1 (0.55) POLBMAPK1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750910-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV Healthcare UK(No.4) Limited (GB) 2020-12-16 EP disclosed
US-10245275-B2 Triterpenoids with HIV maturation inhibitory activity VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2019-04-02 US disclosed
US-9969767-B2 Oxolupene derivatives VIIV Healthcare UK (No.5) Limited (GB) 2018-05-15 US disclosed
US-20170340650-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2017-11-30 US disclosed
US-20170334946-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 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-20170334946-A1 OXOLUPENE DERIVATIVES BET1, CYP51A1, PGGT1B POLB 98/4885MAPK1 3859/4885KDM4E 1645/4885
US-10245275-B2 Triterpenoids with HIV maturation inhibitory activity CYP51A1, CYP8B1, LSS POLB 1857/4885MAPK1 2233/4885KDM4E 2728/4885
US-20170340650-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS POLB 1857/4885MAPK1 2233/4885KDM4E 2728/4885

“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.