SCHEMBL463162

SCHEMBL463162

CCCCCc1cc[c]cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.43
TSHR P16473 2/20 0.43
ALOX5 P09917 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LIPG Q9Y5X9 1/20 0.37
HTR2A P28223 1/20 0.36
CNR2 P34972 2/20 0.34
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32

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
SCHEMBL27327339 0.98 TYR (0.46) TYRTSHRALOX5MEN1KMT2A
SCHEMBL27297994 0.98 TYR (0.46) TYRTSHRALOX5MEN1KMT2A
SCHEMBL7447639 0.98 TYR (0.46) TYRTSHRALOX5MEN1KMT2A
SCHEMBL27298915 0.98 TYR (0.46) TYRTSHRALOX5MEN1KMT2A
SCHEMBL8038209 0.98 TYR (0.46) TYRTSHRALOX5MEN1KMT2A
SCHEMBL27305337 0.98 TYR (0.46) TYRTSHRALOX5MEN1KMT2A
SCHEMBL7443632 0.94 TYR (0.43) TYRTSHRALOX5MEN1KMT2A
SCHEMBL4680155 0.86 PRKCI (0.31)
SCHEMBL28336992 0.85 TYR (0.40) TYRTSHRALOX5MEN1KMT2A
SCHEMBL677099 0.82 LIPG (0.40) TYRTSHRALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614050-B1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm Biotech Srl (IT) 2016-01-20 EP disclosed
US-9162979-B2 1,5-Diary1-2-alkylpyrrole-3-substituted nitro esters, selective COX-2 inhibitors and nitric oxide donors ROTTAPHARM BIOTECH S.R.L. (IT) 2015-10-20 US disclosed
EP-2614050-A1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm S.p.A. (IT) 2013-07-17 EP disclosed
US-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors ROTTAPHARM S.P.A. (IT) 2013-06-27 US disclosed
WO-2012032479-A1 L,5-DIARYL-2-ALKVLPVRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS ROTTAPHARM S.P.A. (IT) 2012-03-15 WO disclosed
CN-1383823-A Methods of treating or inhibiting neutrophil chemotaxis by administering MEK inhibitors WARNER LAMBERT CO (US) 2002-12-11 CN disclosed
EP-1165557-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2002-01-02 EP disclosed
WO-2000059905-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2000-10-12 WO disclosed
EP-0394906-B1 Liquid crystalline composition MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
EP-0394906-A2 Liquid crystalline composition MERCK PATENT GmbH (DE) 1990-10-31 EP 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-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors NOS3, PTGER3, PTGES3 TYR 1861/4885TSHR 903/4885ALOX5 138/4885

“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.