SCHEMBL13401501

SCHEMBL13401501

CC1(C)CCCC2(C)[C@@H]1CCC13CC(CC[C@H]12)[C@@H](CO)C3

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
HSD11B1 P28845 3/20 0.42
HSD11B2 P80365 1/20 0.41
PLA2G2A P14555 1/20 0.37
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
NR1H4 Q96RI1 2/20 0.35
UGT2B7 P16662 1/20 0.35
F10 P00742 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3494203 1.00 PTPN1 (0.47) PTPN1HSD11B1HSD11B2PLA2G2AIDO1
SCHEMBL2398561 1.00 PTPN1 (0.47) PTPN1HSD11B1HSD11B2PLA2G2AIDO1
SCHEMBL2037733 0.88 PTPN1 (0.47) PTPN1HSD11B1HSD11B2F10MEN1
SCHEMBL28653806 0.84 PTPN1 (0.37) PTPN1HSD11B1HSD11B2NR1H4
SCHEMBL2396305 0.82 PTPN1 (0.49) PTPN1HSD11B1HSD11B2IDO1ALDH1A1
SCHEMBL30387208 0.81 PTPN1 (0.52) PTPN1HSD11B1HSD11B2CYP2C9F10
SCHEMBL29421727 0.80 PTPN1 (0.41) PTPN1HSD11B1HSD11B2IDO1ALDH1A1
SCHEMBL29552568 0.80 PTPN1 (0.41) PTPN1HSD11B1HSD11B2IDO1ALDH1A1
SCHEMBL29366469 0.80 PTPN1 (0.41) PTPN1HSD11B1HSD11B2IDO1ALDH1A1
SCHEMBL29404708 0.80 PTPN1 (0.41) PTPN1HSD11B1HSD11B2IDO1ALDH1A1

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-20100099640-A1 TISSUE DEGENERATION PROTECTION GEUNS JOANNES 2010-04-22 US disclosed
US-20100099640-A1 TISSUE DEGENERATION PROTECTION GEUNS JOANNES 2010-04-22 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 (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-20100099640-A1 TISSUE DEGENERATION PROTECTION SORD, CASP3, TXNRD2 PTPN1 3492/4885HSD11B1 187/4885HSD11B2 114/4885

“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.