SCHEMBL13047036

SCHEMBL13047036

CC(=O)Oc1cc(C)ccc1Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 5/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11757151 0.85 HPGD (0.45) ALDH1A1SMN1; SMN2L3MBTL1HPGDLMNA
SCHEMBL11759533 0.85 MAPT (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3764410 0.84 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2TDP1PTGS2
SCHEMBL2706885 0.81 FNTA (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL14176624 0.76 HTR1A (0.43) ALDH1A1SMN1; SMN2TDP1L3MBTL1HPGD
SCHEMBL11704293 0.74 SIRT1 (0.50) ALDH1A1SMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL10599892 0.73 HTT (0.43) ALDH1A1TDP1L3MBTL1PTGS2HPGD
SCHEMBL28022867 0.73 BACE1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL11706494 0.73 MAPT (0.51) ALDH1A1SMN1; SMN2TDP1L3MBTL1HPGD
SCHEMBL29083007 0.73 HTR1A (0.51) ALDH1A1NPC1RAB9ATDP1L3MBTL1

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
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 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-20100303758-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R ALDH1A1 2013/4885NPC1 1661/4885RAB9A 2234/4885

“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.