SCHEMBL6420717

SCHEMBL6420717

C#CC(C)(C)c1ccsc1C1OCCO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 4/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL971483 0.69 KDM4E (0.37) ALDH1A1TAAR1HTR1ADRD2HTR7
SCHEMBL470176 0.66 KEAP1 (0.38) ALDH1A1POLBTAAR1HTR1ADRD2
SCHEMBL1858414 0.65 TAAR1 (0.36) TAAR1HTR1ADRD2HTR7
SCHEMBL6422332 0.65
SCHEMBL21505763 0.65 TAAR1 (0.35) ALDH1A1POLBTAAR1HTR1ADRD2
SCHEMBL27386493 0.65 KEAP1 (0.39) ALDH1A1TAAR1HTR1ADRD2HTR7
SCHEMBL16742556 0.59 TAAR1 (0.39) TAAR1HTR1ADRD2HTR7
SCHEMBL11496788 0.58 CHRM2 (0.36) ALDH1A1POLBTAAR1HTR1ADRD2
SCHEMBL3101559 0.58 ALDH1A1 (0.40) ALDH1A1POLBTAAR1HTR1ADRD2
SCHEMBL18825907 0.58 FNTA (0.33) ALDH1A1POLBTAAR1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 ALDH1A1 476/4885POLB 4498/4885TAAR1 1291/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 ALDH1A1 603/4885POLB 3063/4885TAAR1 981/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 ALDH1A1 530/4885POLB 3233/4885TAAR1 850/4885

“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.