SCHEMBL21164629

SCHEMBL21164629

CC(C)CC(O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
SLC2A1 P11166 1/20 0.56
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
NLRP1 Q9C000 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
IDE P14735 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL12446066 0.90 CYP1A2 (0.49) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL10920777 0.87 CYP1A2 (0.68) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL18182345 0.84 CYP1A2 (0.61) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL11595834 0.83 CYP1A2 (0.56) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL9967704 0.83 KDM1A (0.56) CYP1A2CYP2D6SLC2A1SMN1; SMN2LMNA
SCHEMBL10432959 0.82 CYP1A2 (0.62) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL10975711 0.82 CYP1A2 (0.62) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL11594285 0.81 CYP1A2 (0.58) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL773058 0.81 CYP1A2 (0.61) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL11593398 0.81 CYP1A2 (0.61) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2

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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 CYP1A2 1503/4885CYP2D6 2399/4885SLC2A1 398/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CYP1A2 1503/4885CYP2D6 2399/4885SLC2A1 398/4885

“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.