SCHEMBL4891775

SCHEMBL4891775

Cn1c2ccccc2c2c(OCC3CO3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
GLA P06280 1/20 0.54
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
GPR3 P46089 1/20 0.40
DHFR P00374 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
PDK1 Q15118 1/20 0.37
HTR6 P50406 1/20 0.37
GABRP O00591 1/20 0.37

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
SCHEMBL5830880 0.85 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL4900381 0.85 ALDH1A1 (0.49) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL18386649 0.84 ALDH1A1 (0.39) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL12967935 0.78 LMNA (0.51) ALDH1A1TDP1TP53SMN1; SMN2GPR3
SCHEMBL28406484 0.78 ALDH1A1 (0.44) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL5378582 0.77 ALDH1A1 (0.43) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL729501 0.76 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL15473211 0.76 UTS2R (0.46) GPR3MAPTHTTGABRPGABRD
SCHEMBL4902058 0.75 CYP1A2 (0.46) ALDH1A1GLATDP1CYP3A4SMN1; SMN2
SCHEMBL4900717 0.75 ALDH1A1 (0.53) ALDH1A1GLATDP1TP53CYP3A4

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-9857686-B2 Composition for forming resist underlayer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-02 US disclosed
US-20170017156-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-19 US disclosed
US-20170017156-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-19 US disclosed
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2016-07-28 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO 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-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME ORAI1, RYR2, CASR ALDH1A1 2643/4885GLA 2262/4885TDP1 3331/4885
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 ALDH1A1 1034/4885GLA 1158/4885TDP1 1001/4885

“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.