SCHEMBL2574286

SCHEMBL2574286

CC(C)(C)C(=O)c1ccc(CBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GSK3B P49841 1/20 0.36
ELANE P08246 1/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.36
PLK1 P53350 1/20 0.34
LMNA P02545 1/20 0.34
MLYCD O95822 2/20 0.34
EPHX2 P34913 4/20 0.34
NR1H4 Q96RI1 3/20 0.34

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
SCHEMBL3671949 0.88 CES2 (0.52) CES2CES1KMT2AHDAC6THRA
SCHEMBL3670856 0.86 CES2 (0.50) CES2CES1KMT2AHDAC6THRA
SCHEMBL10031827 0.82 PGR (0.47) CES2CES1PGRARALDH1A1
SCHEMBL11655940 0.82 HDAC6 (0.47) KMT2AHDAC6PGRARTHRA
SCHEMBL11817087 0.81 CES2 (0.46) CES2CES1KMT2AHDAC6THRA
SCHEMBL1628100 0.81 ALDH1A1 (0.59) ALDH1A1PLK1LMNA
SCHEMBL8242799 0.81 EPHX2 (0.50) KMT2AHDAC6PGRARTHRA
SCHEMBL10587459 0.80 PGR (0.41) CES2CES1KMT2AHDAC6PGR
Hydrochloric Acid SCHEMBL11651072 0.80 HDAC6 (0.46) KMT2AHDAC6PGRARTHRA
SCHEMBL13389977 0.79 THRA (0.59) KMT2AHDAC6PGRARTHRA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014198478-A2 BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING Johannes Gutenberg-Universität Mainz (DE) 2014-12-18 WO disclosed
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
US-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 US disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 US disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO disclosed
US-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 US disclosed
EP-0234045-B1 A PYRAZOLE OXIME DERIVATIVE AND ITS PRODUCTION AND USE NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-4011344-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-03-08 US disclosed
US-4006248-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1977-02-01 US disclosed
US-4000307-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1976-12-28 US disclosed
US-3996286-A HYPOLIPIDEMIC AGENTS, HYPOCHOLESTEROLEMICS SANDOZ, INC. (US) 1976-12-07 US disclosed
US-3978132-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1976-08-31 US disclosed
US-3978132-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1976-08-31 US disclosed
US-3962342-A Bromination process SANDOZ, INC. (US) 1976-06-08 US disclosed
US-3962342-A Bromination process SANDOZ, INC. (US) 1976-06-08 US disclosed
US-3962320-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1976-06-08 US disclosed
US-3919323-A Acyl substituted dibenzylethers SANDOZ AG 1975-11-11 US 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-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 CES2 1412/4885CES1 1306/4885KMT2A 2390/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 CES2 1285/4885CES1 1184/4885KMT2A 2344/4885

“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.