SCHEMBL24920135

SCHEMBL24920135

COC(=O)C12CCC(C)(CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CHRM1 P11229 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL11942864 0.92 NPSR1 (0.37) TSHRHSD17B10PKMNPSR1LMNA
SCHEMBL19271800 0.86 NPSR1 (0.40) TSHRHSD17B10PKMNPSR1LMNA
SCHEMBL1537011 0.85 NPSR1 (0.43) TSHRHSD17B10NPSR1LMNAMEN1
SCHEMBL16875246 0.85 NPSR1 (0.43) TSHRHSD17B10NPSR1LMNAMEN1
SCHEMBL20345497 0.83 TSHR (0.48) TSHRHSD17B10PKMNPSR1LMNA
SCHEMBL4037265 0.81 PKM (0.52) TSHRHSD17B10PKMNPSR1LMNA
SCHEMBL21404238 0.80 NPSR1 (0.43) TSHRHSD17B10NPSR1LMNAMEN1
SCHEMBL2445606 0.80 NPSR1 (0.46) TSHRNPSR1LMNAMEN1KMT2A
SCHEMBL4037047 0.79 PKM (0.50) TSHRHSD17B10PKMNPSR1LMNA
SCHEMBL9959207 0.79 NPSR1 (0.43) NPSR1LMNAMEN1KMT2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014651-A1 BIPHENYL FLUORINE DOUBLE BOND DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-01-19 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 (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-20230014651-A1 BIPHENYL FLUORINE DOUBLE BOND DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 TSHR 867/4885HSD17B10 1661/4885PKM 1016/4885

“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.