SCHEMBL21158705

SCHEMBL21158705

CC(C)N(I)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
PTPN1 P18031 1/20 0.35
CES1 P23141 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA2 P00918 1/20 0.34
MLYCD O95822 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 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
SCHEMBL18814161 0.79 SLC6A2 (0.37) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8508318 0.77 SMN1; SMN2 (0.42) ALDH1A1LMNATP53SMN1; SMN2MEN1
Isopropyldiphenylamine SCHEMBL2119054 0.74 ALDH1A1 (0.50) ALDH1A1LMNATP53SMN1; SMN2MEN1
Isopropyldiphenylamine SCHEMBL2119060 0.74 ALDH1A1 (0.50) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL141145 0.74 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL11476066 0.72 ALDH1A1 (0.53) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL28390686 0.72 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL94821 0.72 MEN1 (0.44) ALDH1A1LMNATP53SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL29160785 0.72 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL184934 0.72 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2MEN1

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-11081659-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-08-03 US disclosed
WO-2020001865-A1 VINYLETHER-BASED POLYMER AS DIELECTRIC BASF SE (DE) 2020-01-02 WO disclosed
US-20190214584-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-07-11 US disclosed
CN-105392777-A Biaryl derivatives as GRP120 agonists LG LIFE SCIENCES LTD 2016-03-09 CN 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-20190214584-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, L1CAM, MCM2 ALDH1A1 445/4885LMNA 1184/4885TP53 3054/4885
US-11081659-B2 Organic electroluminescent materials and devices SOD1, L1CAM, MCM2 ALDH1A1 445/4885LMNA 1184/4885TP53 3054/4885

“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.