SCHEMBL3764410

SCHEMBL3764410

CC(=O)Oc1cc(C(=O)O)ccc1Sc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
TSHR P16473 3/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.46
HSD17B10 Q99714 4/20 0.46
RECQL P46063 1/20 0.46
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TTR P02766 3/20 0.45

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
SCHEMBL13047036 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRRAB9AMAPT
SCHEMBL2706885 0.80 FNTA (0.41) ALDH1A1KDM4ETSHRRAB9AMAPT
SCHEMBL29083006 0.77 HPGD (0.50) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL6753795 0.76 RXRA (0.51) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL11033509 0.76 TSHR (0.51) ALDH1A1KDM4ETSHRGAARAB9A
SCHEMBL640263 0.76 TSHR (1.00) ALDH1A1KDM4ETSHRGAARAB9A
SCHEMBL30154503 0.76 TSHR (1.00) ALDH1A1KDM4ETSHRGAARAB9A
SCHEMBL9630074 0.75 SMN1; SMN2 (0.45) ALDH1A1KDM4ERAB9AMAPTHPGD
SCHEMBL6516763 0.74 HPGD (0.52) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL1296668 0.74 KDM4E (0.58) ALDH1A1KDM4EGAAMAPTHPGD

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 4 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
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US 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 2013/4885KDM4E 3887/4885TSHR 431/4885

“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.