SCHEMBL20073039

SCHEMBL20073039

CCOC(=O)C1CC2CC2C[C@@H]1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
CAPN9 O14815 1/20 0.41
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 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
SCHEMBL21905196 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL20063850 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL7266782 0.91 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL2705851 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL1296897 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL8914013 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL2705849 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL12943060 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL1246430 0.85 PPM1B (0.47) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL6900102 0.85 PPM1B (0.47) ALDH1A1LMNAHSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 ALDH1A1 2867/4885LMNA 1829/4885HSD17B10 1256/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 ALDH1A1 2867/4885LMNA 1829/4885HSD17B10 1256/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 ALDH1A1 3058/4885LMNA 1680/4885HSD17B10 1274/4885

“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.