SCHEMBL85766

SCHEMBL85766

CC(C)(C)c1cc(C(C)(C)C)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
TYR P14679 2/20 0.36
POLB P06746 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
CYP2C9 P11712 2/20 0.33
LMNA P02545 2/20 0.33
NR1I2 O75469 1/20 0.33
MIF P14174 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL7877558 0.91 ALDH1A1 (0.39) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL26179223 0.91 ALDH1A1 (0.39) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL13945794 0.90 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL25797098 0.89 KIF11 (0.36) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL12732373 0.84 CYP1A2 (0.37) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL17083896 0.82 SMN1; SMN2 (0.37) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL16512750 0.82 ALOX15 (0.64) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL17030743 0.82 ALDH1A1 (0.56) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL16658361 0.82 ALDH1A1 (0.36) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL26762111 0.82 KDM1A (0.33) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT

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-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. 2014-02-20 US disclosed
EP-2537875-A1 NOVEL POLYAZOMETHINE Soken Chemical & Engineering Co., Ltd. (JP) 2012-12-26 EP disclosed
US-8232428-B2 Polycationic compounds and uses thereof PolyMedix,Inc. (US) 2012-07-31 US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 US disclosed
US-20100298344-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. 2010-11-25 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 (3 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-20100298344-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF ALDH1A1 3071/4885ALOX15 1107/4885SMN1; SMN2 4701/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF ALDH1A1 3071/4885ALOX15 1107/4885SMN1; SMN2 4701/4885
US-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF ALDH1A1 3071/4885ALOX15 1107/4885SMN1; SMN2 4701/4885

“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.