SCHEMBL17548005

SCHEMBL17548005

Cc1c(F)cc(OCC2CCC(C)CO2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
GRM5 P41594 4/20 0.34
LMNA P02545 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 2/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL17548069 0.90 ALDH1A1 (0.31) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL17548059 0.89 TP53 (0.34) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL17548001 0.86 ALDH1A1 (0.42) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL15985665 0.83 ALDH1A1 (0.53) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL26435756 0.81 TP53 (0.33) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL15985671 0.79 GRM5 (0.47) ALDH1A1SMN1; SMN2TDP1MAPTHPGD
SCHEMBL17548060 0.79 BACE1 (0.35) HPGDSCN9AFFAR1
SCHEMBL17548057 0.78 TP53 (0.35) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL17548007 0.77 PARP10 (0.40) HPGDSCN9A
SCHEMBL17548053 0.77 TP53 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-9487704-B2 Nematic liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20160319195-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160060526-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-03-03 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 (1 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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION GPX1, LPO, SCO2 ALDH1A1 599/4885TP53 3162/4885TSHR 4457/4885

“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.