SCHEMBL1783156

SCHEMBL1783156

CC(C(=O)O)C(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.49
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
LRRK2 Q5S007 5/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGER1 P34995 3/20 0.43
CYP1A2 P05177 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 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
SCHEMBL4840143 0.87 KEAP1 (0.49) ALDH1A1HTR7HTR6LMNALRRK2
SCHEMBL17700696 0.81 CCR5 (0.52) CCR5ALDH1A1RAB9AUSP2LMNA
SCHEMBL11890513 0.81 CCR5 (0.56) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL7121592 0.80 LRRK2 (0.49) CCR5ALDH1A1RAB9AUSP2LMNA
SCHEMBL12293726 0.80 CCR5 (0.47) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL8166488 0.79 CCR5 (0.58) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL3915066 0.79 CCR5 (0.60) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL2167632 0.79 KMT2A (0.47) CCR5ALDH1A1RAB9AUSP2LMNA
SCHEMBL1783943 0.79 KMT2A (0.47) CCR5ALDH1A1RAB9AUSP2LMNA
SCHEMBL16294377 0.79 PTGER1 (0.54) CCR5ALDH1A1RAB9AUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124903-A1 SOLID STATE FORMS OF FESOTERODINE INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-05-26 US disclosed
US-20100217034-A1 Process for the Preparation of Fesoterodine ACTAVIS GROUP PTC EHF (IS) 2010-08-26 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-20100217034-A1 Process for the Preparation of Fesoterodine ADRB3, FES, QDPR CCR5 3033/4885ALDH1A1 2791/4885RAB9A 532/4885
US-20110124903-A1 SOLID STATE FORMS OF FESOTERODINE INTERMEDIATES FES, NISCH, RPS27A CCR5 4613/4885ALDH1A1 1371/4885RAB9A 1224/4885

“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.