SCHEMBL12243142

SCHEMBL12243142

CC[C@H]1OC(=O)[C@](C)(OCc2ccccc2)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
NAAA Q02083 4/20 0.37
TSHR P16473 1/20 0.35
GRM2 Q14416 1/20 0.33
IDO1 P14902 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
CTSF Q9UBX1 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G6 O60733 2/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
PLA2G4A P47712 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
SCHEMBL12310817 0.76 CTSV (0.39) ALDH1A1NAAAGRM2IDO1CTSV
SCHEMBL24168933 0.75 LMNA (0.41) ALDH1A1TSHRIDO1CTSVCTSL
SCHEMBL14817052 0.75 LMNA (0.41) ALDH1A1TSHRIDO1CTSVCTSL
SCHEMBL3300637 0.75 LMNA (0.41) ALDH1A1TSHRIDO1CTSVCTSL
SCHEMBL9911195 0.69 IDO1 (0.33) ALDH1A1NAAATSHRIDO1
SCHEMBL13998794 0.69 BCHE (0.32) ALDH1A1TSHR
SCHEMBL10919889 0.68 SMN1; SMN2 (0.33) TSHR
SCHEMBL11997771 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13645046 0.66
SCHEMBL10120664 0.66 NAAA (0.43) NAAAIDO1CTSVCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2018-07-17 US disclosed
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 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 (2 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-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs PNP, TYMP, CDA ALDH1A1 873/4885NAAA 945/4885TSHR 2919/4885
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, CDA ALDH1A1 755/4885NAAA 927/4885TSHR 2899/4885

“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.