SCHEMBL799603

SCHEMBL799603

CC(C)(C)c1ccc(-c2ccc(Cl)cc2Cl)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 3/20 0.44
BLM P54132 2/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
HTT P42858 3/20 0.43

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
SCHEMBL799579 0.86 HPGD (0.49) MAPTALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL18856572 0.85 ESR1 (0.43) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL15996807 0.77 MAPT (0.50) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL21119020 0.75 MAPT (0.56) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL18856646 0.75 AHR (0.35) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL799954 0.74 ALDH1A1 (0.44) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL805163 0.72 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL9980406 0.72 SOS1 (0.54) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL10078955 0.70 AHR (0.45) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL1728691 0.69 MAPT (0.64) MAPTALDH1A1NPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 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 (4 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 MAPT 2141/4885ALDH1A1 1032/4885NPC1 1706/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 MAPT 2141/4885ALDH1A1 1032/4885NPC1 1706/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 MAPT 3014/4885ALDH1A1 814/4885NPC1 2069/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 MAPT 2141/4885ALDH1A1 1032/4885NPC1 1706/4885

“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.