SCHEMBL7112401

SCHEMBL7112401

COC(=O)CC(C)(C)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
EPHX2 P34913 3/20 0.38
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TET2 Q6N021 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RECQL P46063 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL25374895 0.89 SMYD3 (0.34) TSHREPHX2GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL25374897 0.89 SMYD3 (0.34) TSHREPHX2GAASMN1; SMN2MEN1
SCHEMBL25373676 0.82 BTK (0.44) EPHX2GAAKMT2AEPHX1
SCHEMBL25373672 0.82 BTK (0.44) EPHX2GAAKMT2AEPHX1
SCHEMBL21272742 0.81 TSHR (0.37) TSHREPHX2HSD17B10GAAMGAM
SCHEMBL2151643 0.79 GAA (0.43) EPHX2HSD17B10GAAMGAMSI
SCHEMBL20899716 0.79 MEN1 (0.33) TET2SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL7603419 0.75 TSHR (0.38) TSHREPHX2HSD17B10GAAMGAM
SCHEMBL4996608 0.75 TSHR (0.36) TSHREPHX2HSD17B10GAAMGAM
SCHEMBL3516359 0.75 HMGCR (0.46) TSHRSMN1; SMN2MEN1ALDH1A1LMNA

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-6528503-B2 Anticoagulants MERCK & CO., INC. 2003-03-04 US disclosed
US-20030013700-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2003-01-16 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 (1 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-20030013700-A1 Thrombin inhibitors TFPI, PLAT, TFPI2 TSHR 876/4885EPHX2 1735/4885HSD17B10 2742/4885

“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.