SCHEMBL5459074

SCHEMBL5459074

C=[C]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
KCNH2 Q12809 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MGLL Q99685 1/20 0.39
KIF11 P52732 1/20 0.39
NOTUM Q6P988 1/20 0.38
ALOX5 P09917 1/20 0.37
APP P05067 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL189508 0.82
Biphenyl SCHEMBL14662988 0.78 ALDH1A1 (0.69) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL5989645 0.77 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
Biphenyl SCHEMBL27987851 0.75 ALDH1A1 (0.75) CYP1A2ALDH1A1TAAR1MAPK1CYP3A4
SCHEMBL1991754 0.74 ALDH1A1 (0.90) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL143471 0.74 ALDH1A1 (0.90) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL18674172 0.74 ALDH1A1 (0.90) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL827097 0.74 ALDH1A1 (0.90) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
SCHEMBL2637802 0.74 ALDH1A1 (0.90) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1
Tannin Pyrogallol SCHEMBL11689471 0.74 ALDH1A1 (0.90) CYP1A2CYP1A1CYP1B1ALDH1A1TAAR1

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-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO claimed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO 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-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 CYP1A2 2427/4885CYP1A1 1770/4885CYP1B1 3833/4885

“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.