SCHEMBL6292983

SCHEMBL6292983

O=C(C=Cc1ccccc1O)c1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
GUSB P08236 1/20 0.54
NFKB1 P19838 2/20 0.51
JUN P05412 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CHRNA7 P36544 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
AR P10275 5/20 0.46
MAOB P27338 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL15525567 0.80 KMT2A (0.58) BCHENFKB1MAPTMAPK1LMNA
SCHEMBL15525568 0.80 KMT2A (0.58) BCHENFKB1MAPTMAPK1LMNA
SCHEMBL20571322 0.76 ALDH1A1 (0.47) NFKB1MAPTLMNAHSP90AA1KMT2A
SCHEMBL18153601 0.74 JAK2 (0.51) NFKB1MAPTMAOBKMT2A
SCHEMBL18153600 0.74 JAK2 (0.51) NFKB1MAPTMAOBKMT2A
SCHEMBL28814886 0.74 CTSL (0.69) BCHEGUSBNFKB1JUNNFE2L2
SCHEMBL3595206 0.74 MAPT (0.64) BCHEGUSBNFKB1JUNNFE2L2
SCHEMBL3595210 0.74 MAPT (0.64) BCHEGUSBNFKB1JUNNFE2L2
SCHEMBL20112821 0.72 MAPT (0.54) NFKB1JUNMAPTMAOBCYP1A1
SCHEMBL18165781 0.72 NPC1 (0.44) NFKB1MAPTMAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090532-A1 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY 2005-04-28 US disclosed
US-6878729-B2 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY (US) 2005-04-12 US disclosed
US-20030083351-A1 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY 2003-05-01 US disclosed
WO-2002089799-A2 USE OF DIHYDROPYRAZOLES TO INCREASE ERYTHROPOIETIN AND VASCULARI ZATION THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 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 (2 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-20050090532-A1 Medicinal uses of dihydropyrazoles EPOR, VEGFA, FLT4 BCHE 2595/4885GUSB 498/4885NFKB1 1992/4885
US-20030083351-A1 Medicinal uses of dihydropyrazoles EPOR, VEGFA, TEK BCHE 3236/4885GUSB 657/4885NFKB1 1985/4885

“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.