SCHEMBL20815380

SCHEMBL20815380

C[C@H](CC[C]=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.71
EPHA2 P29317 3/20 0.71
HSD17B10 Q99714 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
AKR1B10 O60218 2/20 0.71
AKR1B1 P15121 2/20 0.71
LMNA P02545 2/20 0.71
EFNA1 P20827 1/20 0.71
PSEN1 P49768 1/20 0.71
PSEN2 P49810 1/20 0.71
APH1B Q8WW43 1/20 0.71
NCSTN Q92542 1/20 0.71
APH1A Q96BI3 1/20 0.71
PSENEN Q9NZ42 1/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
CASP7 P55210 3/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
BLM P54132 2/20 0.52

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
SCHEMBL3814724 1.00 GPBAR1 (0.71) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7699066 0.88 GPBAR1 (0.67) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL26753858 0.86 GPBAR1 (0.68) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL1358416 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28179700 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25515762 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7617897 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL20748953 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL14812914 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL19313992 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11389539-B2 Hyaluronic acid derivatives into which cationic and hydrophobic groups are introduced CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-07-19 US disclosed
US-20220160849-A1 CANCER VACCINE FORMULATION MIE UNIVERSITY (JP) 2022-05-26 US disclosed
EP-3919072-A1 CANCER VACCINE PREPARATION Mie University (JP) 2021-12-08 EP disclosed
US-20210371548-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLYETHYLENE GLYCOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-12-02 US disclosed
EP-3712181-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLY(ETHYLENE GLYCOL) Chugai Seiyaku Kabushiki Kaisha (JP) 2020-09-23 EP disclosed
US-20190142959-A1 HYALURONIC ACID DERIVATIVES INTO WHICH CATIONIC AND HYDROPHOBIC GROUPS ARE INTRODUCED CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-05-16 US disclosed
EP-3456745-A1 HYALURONIC ACID DERIVATIVE HAVING CATIONIC GROUP AND HYDROPHOBIC GROUP INTRODUCED THEREIN Chugai Seiyaku Kabushiki Kaisha (JP) 2019-03-20 EP 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 (4 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-11389539-B2 Hyaluronic acid derivatives into which cationic and hydrophobic groups are introduced CD44, MUC1, FUT5 GPBAR1 2485/4885EPHA2 1660/4885HSD17B10 825/4885
US-20210371548-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLYETHYLENE GLYCOL CD44, F12, HPSE GPBAR1 2619/4885EPHA2 1576/4885HSD17B10 574/4885
US-20220160849-A1 CANCER VACCINE FORMULATION CD44, TP53, MUC1 GPBAR1 3817/4885EPHA2 841/4885HSD17B10 768/4885
US-20190142959-A1 HYALURONIC ACID DERIVATIVES INTO WHICH CATIONIC AND HYDROPHOBIC GROUPS ARE INTRODUCED CD44, MUC1, FUT5 GPBAR1 2485/4885EPHA2 1660/4885HSD17B10 825/4885

“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.