SCHEMBL20468552

SCHEMBL20468552

Bc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)C2C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
BRCA1 P38398 1/20 0.30
RECQL P46063 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16755705 0.92 HSD17B10 (0.33) ALDH1A1CYP3A4THRBHPGDTSHR
SCHEMBL16755710 0.65 MEN1 (0.33) ALDH1A1THRBMAPK1CASP1RECQL
SCHEMBL20080292 0.65 ADRA2A (0.32) ALDH1A1MAPK1CASP1
SCHEMBL13019593 0.62 PRMT1 (0.42) ALDH1A1CYP3A4THRBHPGDTSHR
SCHEMBL20080328 0.59
SCHEMBL20099468 0.57 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16755701 0.56 MAPT (0.62) ALDH1A1CYP3A4THRBHPGDMAPK1
SCHEMBL20225302 0.56 MAPT (0.44) ALDH1A1MAPK1CASP1HSD17B10
SCHEMBL16755694 0.55 MAPT (0.64) ALDH1A1CYP3A4THRBHPGDMAPK1
SCHEMBL8163979 0.55 PRMT1 (0.50) ALDH1A1CYP3A4THRBHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A ALDH1A1 4172/4885CYP3A4 2912/4885THRB 3592/4885

“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.