SCHEMBL4597098

SCHEMBL4597098

CCC(=O)c1cccc(F)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
BCHE P06276 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KRAS P01116 2/20 0.39
RAB9A P51151 1/20 0.39
PDK2 Q15119 1/20 0.38
HIF1A Q16665 1/20 0.38
ALB P02768 1/20 0.38
HCRTR2 O43614 2/20 0.38
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
HCRTR1 O43613 1/20 0.38
OPRK1 P41145 1/20 0.38
CASP3 P42574 1/20 0.37

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
SCHEMBL1261445 0.87 ALDH1A1 (0.42) KMT2ANPC1SMN1; SMN2CES2CES1
SCHEMBL9720578 0.82 ALDH1A1 (0.47) HMGCRKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL28266600 0.82 CES2 (0.45) KMT2ANPC1SMN1; SMN2CES2CES1
SCHEMBL8800692 0.81 USP2 (0.52) KMT2ANPC1SMN1; SMN2RAB9AHIF1A
SCHEMBL8980655 0.81 APEX1 (0.49) HMGCRNPC1SMN1; SMN2RAB9A
SCHEMBL3661643 0.81 HPGD (0.54) HMGCRKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL4423235 0.81 HMGCR (0.50) HMGCRKMT2ANPC1SMN1; SMN2HIF1A
SCHEMBL184046 0.80 ALB (0.55) KMT2ANPC1SMN1; SMN2CES2CES1
SCHEMBL29933044 0.80 ALB (0.55) KMT2ANPC1SMN1; SMN2CES2CES1
SCHEMBL1261333 0.80 KMT2A (0.50) KMT2ANPC1SMN1; SMN2CES2CES1

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
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 EP disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 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-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 HMGCR 383/4885KMT2A 4743/4885NPC1 1413/4885

“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.