SCHEMBL4901435

SCHEMBL4901435

c1ccc2c(c1)[nH]c1cc(OCC3CO3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TP53 P04637 3/20 0.55
TSHR P16473 3/20 0.55
HIF1A Q16665 2/20 0.55
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
KIF11 P52732 4/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
AHR P35869 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7964358 1.00 ALDH1A1 (0.55) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7964357 1.00 ALDH1A1 (0.55) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3979545 0.90 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL28618616 0.85 HTT (0.48) ALDH1A1SMN1; SMN2THRBHTTCTSV
SCHEMBL28097894 0.83 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7689297 0.79 KDM4E (0.45) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7697062 0.79 KDM4E (0.45) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7698081 0.79 KDM4E (0.45) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL10572539 0.78 KDM4E (0.58) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL9768410 0.76 ALDH1A1 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708767-B1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR CARBAZOLE AND DIBENZOFURAN DERIVATIVES ABBOTT LAB (US) 2001-02-14 EP claimed
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
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 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 (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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 ALDH1A1 1034/4885TP53 4868/4885TSHR 802/4885

“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.