SCHEMBL2684005

SCHEMBL2684005

CC(C)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.62
LMNA P02545 2/20 0.61
GAA P10253 1/20 0.61
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
MAPK1 P28482 2/20 0.57
POLB P06746 1/20 0.57
CES1 P23141 2/20 0.55
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
4-Nitrobenzoic Acid SCHEMBL7727849 0.88 TDP1 (0.72) SRD5A2LMNAALDH1A1MAPTKDM4E
Hydrogen Peroxide SCHEMBL28470548 0.87 ALDH1A1 (0.55) LMNAALDH1A1MAPTKDM4EUSP2
SCHEMBL254528 0.87 ALDH1A1 (0.56) LMNAGAAALDH1A1MAPTKDM4E
SCHEMBL7727851 0.85 ALDH1A1 (0.56) LMNAALDH1A1MAPTKDM4EUSP2
SCHEMBL10723714 0.84 SRD5A2 (0.83) SRD5A2LMNAGAAALDH1A1MAPT
SCHEMBL975118 0.84 SRD5A2 (0.83) SRD5A2LMNAGAAALDH1A1MAPT
Methylamine SCHEMBL9733678 0.83 ALDH1A1 (0.58) LMNAALDH1A1MAPTKDM4EUSP2
SCHEMBL1148332 0.82 CNR1 (0.58) SRD5A2LMNAALDH1A1MAPTKDM4E
SCHEMBL418825 0.82 SRD5A2 (0.62) SRD5A2LMNAGAAALDH1A1MAPT
SCHEMBL3471178 0.82 KDM4E (0.65) LMNAGAAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066153-B1 4-ISOPROPYL-4'-NITROBENZOPHENONE AND PROCESS FOR PREPARING IT CASSELLA Aktiengesellschaft (DE) 1984-10-03 EP claimed
US-4413144-A 4-Isopropyl-4'-nitrobenzophenone and a process for the preparation of 4'-nitrobenzophenones substituted in the 4-position CASSELLA AKTIENGESELLSCHAFT (DE) 1983-11-01 US claimed
EP-0066153-A1 4-Isopropyl-4'-nitrobenzophenone and process for preparing it CASSELLA Aktiengesellschaft (DE) 1982-12-08 EP claimed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2651924-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-10-23 EP disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
EP-0534314-B1 Process for the preparation of nitrobenzophenones and also the colour-fast modification of a benzophenoneazopyridone dye BASF AG (DE) 1996-06-05 EP disclosed
US-5364972-A Preparation of nitrobenzophenones, and a color-stable modification of a benzophenone-azopyridone dye BASF AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0534314-A2 Process for the preparation of nitrobenzophenones and also the colour-fast modification of a benzophenoneazopyridone dye BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed
EP-0302401-A1 Pyridone dyes, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1989-02-08 EP disclosed
EP-0066153-B1 4-ISOPROPYL-4'-NITROBENZOPHENONE AND PROCESS FOR PREPARING IT CASSELLA Aktiengesellschaft (DE) 1984-10-03 EP disclosed
EP-0066153-B1 4-ISOPROPYL-4'-NITROBENZOPHENONE AND PROCESS FOR PREPARING IT CASSELLA Aktiengesellschaft (DE) 1984-10-03 EP disclosed
US-4413144-A 4-Isopropyl-4'-nitrobenzophenone and a process for the preparation of 4'-nitrobenzophenones substituted in the 4-position CASSELLA AKTIENGESELLSCHAFT (DE) 1983-11-01 US disclosed
US-4413144-A 4-Isopropyl-4'-nitrobenzophenone and a process for the preparation of 4'-nitrobenzophenones substituted in the 4-position CASSELLA AKTIENGESELLSCHAFT (DE) 1983-11-01 US disclosed
US-4413144-A 4-Isopropyl-4'-nitrobenzophenone and a process for the preparation of 4'-nitrobenzophenones substituted in the 4-position CASSELLA AKTIENGESELLSCHAFT (DE) 1983-11-01 US disclosed
EP-0066153-A1 4-Isopropyl-4'-nitrobenzophenone and process for preparing it CASSELLA Aktiengesellschaft (DE) 1982-12-08 EP disclosed
EP-0066153-A1 4-Isopropyl-4'-nitrobenzophenone and process for preparing it CASSELLA Aktiengesellschaft (DE) 1982-12-08 EP disclosed
EP-0066153-A1 4-Isopropyl-4'-nitrobenzophenone and process for preparing it CASSELLA Aktiengesellschaft (DE) 1982-12-08 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 (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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SRD5A2 3423/4885LMNA 3118/4885GAA 223/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SRD5A2 3423/4885LMNA 3118/4885GAA 223/4885

“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.