SCHEMBL12972003

SCHEMBL12972003

CC(F)(F)COC(=O)CCOC(=O)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 4/20 0.46
ABL1 P00519 1/20 0.42
TSHR P16473 1/20 0.42
RIN1 Q13671 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HSD11B1 P28845 2/20 0.38
GAA P10253 1/20 0.36

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
SCHEMBL685292 0.89 ALDH1A1 (0.53) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL12972033 0.88 NPSR1 (0.48) NPSR1ALDH1A1L3MBTL1LMNA
SCHEMBL17828626 0.88 ALDH1A1 (0.54) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL12972090 0.87 NPSR1 (0.42) NPSR1ALDH1A1LMNA
SCHEMBL12977719 0.85 ALDH1A1 (0.44) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL12972123 0.82 ALDH1A1 (0.42) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL17899095 0.82 ALDH1A1 (0.47) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL14727757 0.82 ALDH1A1 (0.47) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL12972053 0.80 NPSR1 (0.52) NPSR1ALDH1A1ABL1TSHRRIN1
SCHEMBL14727759 0.80 ALDH1A1 (0.46) NPSR1ALDH1A1ABL1TSHRRIN1

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-8318404-B2 Salt and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-20100316952-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-16 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-20100316952-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME AFF1, AFF2, AFF4 NPSR1 1322/4885ALDH1A1 1746/4885ABL1 715/4885

“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.