SCHEMBL171174

SCHEMBL171174

Cc1ccc(OC(C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
TEAD4 Q15561 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NLRP1 Q9C000 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A3 P47895 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL8723823 0.81 ACHE (0.42) ACHECYP3A4TSHRKMT2AMEN1
SCHEMBL17904768 0.81 ACHE (0.42) ACHECYP3A4TSHRKMT2AMEN1
SCHEMBL19493387 0.81 ACHE (0.42) ACHECYP3A4TSHRKMT2AMEN1
SCHEMBL14701614 0.80 ACHE (0.46) ACHECYP3A4TSHRKMT2AMEN1
SCHEMBL104201 0.79 ALDH1A3 (0.54) ACHECYP3A4TSHRKMT2AMEN1
SCHEMBL1162019 0.79 ACHE (0.50) ACHECYP3A4TSHRKMT2AMEN1
SCHEMBL14704027 0.78 ALDH1A1 (0.47) ACHEKMT2AMEN1MAPTALDH1A1
SCHEMBL19833190 0.78 ESR2 (0.46) CYP3A4KMT2AMEN1MAPTALDH1A1
SCHEMBL14704047 0.78 ALDH1A1 (0.47) ACHEKMT2AMEN1MAPTALDH1A1
SCHEMBL13561319 0.78 POLB (0.47) CYP3A4ALDH1A1POLBLMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030065-A1 FLUORESCEIN POLYMER CONJUGATES ISI LIFE SCIENCES, INC. (US) 2018-02-01 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 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-20180030065-A1 FLUORESCEIN POLYMER CONJUGATES PFAS, CD44, FGB ACHE 4046/4885CYP3A4 1521/4885TSHR 2698/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ACHE 4738/4885CYP3A4 3432/4885TSHR 1187/4885

“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.