SCHEMBL95355

SCHEMBL95355

CCCN(c1cc(Br)c(C=O)s1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A3 P47895 1/20 0.35
ADH1A P07327 2/20 0.34
ADH1C P00326 1/20 0.34
CRHR1 P34998 1/20 0.32
DRD3 P35462 2/20 0.30
MME P08473 1/20 0.30
AR P10275 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 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
SCHEMBL94360 0.78 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH1A3CRHR1MME
SCHEMBL1169617 0.60
SCHEMBL20548246 0.60
SCHEMBL1622537 0.60 CYP2A6 (0.35) ALDH1A3
SCHEMBL96572 0.57 AR (0.64) ALDH1A1ALDH3A1ALDH1A3MMEAR
SCHEMBL31196237 0.57
SCHEMBL6305183 0.57
SCHEMBL16901854 0.57 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4485628 0.57 TRPV1 (0.48) ADH1AADH1CCRHR1DRD3DRD2
SCHEMBL20677626 0.57 KDM4E (0.30) ALDH1A1

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-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 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 (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-20120065231-A1 THIOPHENE DERIVATIVE AR, NR5A1, SHBG ALDH1A1 729/4885ALDH3A1 1265/4885ALDH1A3 1793/4885

“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.