SCHEMBL5638829

SCHEMBL5638829

CSc1ccc(Br)c(C)c1-c1cc(C)on1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1I2 O75469 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
AR P10275 1/20 0.32
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6995475 0.90 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL5639703 0.83 HTT (0.37) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL5640101 0.83 ALDH1A1 (0.38) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL5641551 0.80 ALDH1A1 (0.35) ALDH1A1MAPTRAB9ANPC1NR1I2
SCHEMBL6380186 0.78 ALDH1A1 (0.37) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL5640472 0.77 GAA (0.41) MAPTKDM4EPOLB
SCHEMBL7831898 0.67 RAB9A (0.46) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL701678 0.66
SCHEMBL29603808 0.66
SCHEMBL701014 0.66

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-7301034-B2 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-11-27 US claimed
EP-1301469-B1 PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES BASF AG (DE) 2006-06-21 EP claimed
US-20030149276-A1 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 US claimed
US-7301034-B2 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-11-27 US disclosed
EP-1301469-B1 PREPARATION OF 4-THIOALKYLBROMOBENZENE DERIVATIVES BASF AG (DE) 2006-06-21 EP disclosed
US-20030149276-A1 Preparation of -4-thioalkybrobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 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-20030149276-A1 Preparation of -4-thioalkybrobenzene derivatives CBR1, CBR3, AOC3 ALDH1A1 326/4885MAPT 4763/4885RAB9A 3660/4885

“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.