SCHEMBL2870701

SCHEMBL2870701

CC(Cl)OC(C)Oc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A4 P31645 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP2A6 P11509 1/20 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
SCHEMBL17790005 0.83 LDHA (0.44) LDHALMNATDP1SLC6A4MAPT
SCHEMBL8431691 0.83 LDHA (0.50) LDHALMNATDP1SLC6A4MAPT
SCHEMBL11487016 0.82 L3MBTL1 (0.46) SLC6A4PPARGPPARAALDH1A1L3MBTL1
SCHEMBL29167518 0.79 KDM4E (0.42) LMNASLC6A4ALDH1A1TSHRCRHBP
SCHEMBL1920821 0.79 LDHA (0.47) LDHALMNATDP1SLC6A4MAPT
SCHEMBL8968465 0.75 LDHA (0.48) LDHALMNATDP1SLC6A4MAPT
SCHEMBL10343932 0.73 LDHA (0.50) LDHALMNATDP1SLC6A4PPARG
SCHEMBL2281906 0.73 ALDH1A3 (0.52) LDHALMNATDP1SLC6A4MAPT
SCHEMBL4066156 0.72 LMNA (0.42) LDHALMNATDP1SLC6A4PPARG
SCHEMBL18123686 0.72 LDHA (0.41) LDHALMNATDP1SLC6A4MAPT

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
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 LDHA 4762/4885LMNA 4351/4885TDP1 3835/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 LDHA 4762/4885LMNA 4351/4885TDP1 3835/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 LDHA 4667/4885LMNA 4218/4885TDP1 4391/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 LDHA 4762/4885LMNA 4351/4885TDP1 3835/4885

“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.