SCHEMBL16727482

SCHEMBL16727482

CN(C)CC(O)COc1ccccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 12/20 0.70
▸ ADRB2 P07550 1/20 0.55
▸ ADRB1 P08588 1/20 0.55
▸ ADRB3 P13945 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ AGER Q15109 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL16727483 0.88 ABCB1 (0.75) ABCB1ADRB2ADRB1ADRB3TSHR
SCHEMBL11337004 0.85 ABCB1 (0.53) ABCB1TSHR
SCHEMBL7050989 0.81 CYP1A2 (0.58) ABCB1AGER
SCHEMBL15344028 0.81 KDM4E (0.54) ABCB1TSHR
SCHEMBL15539763 0.79 ABCB1 (0.48) ABCB1TSHRAGERPOLBNPSR1
SCHEMBL477006 0.78 ALDH1A1 (0.59) ABCB1TSHRAGER
SCHEMBL21793185 0.78 HIF1A (0.59) ABCB1ADRB2ADRB1ADRB3
SCHEMBL13166873 0.77 ABCB1 (0.54) ABCB1ADRB2ADRB1
Propanol SCHEMBL524035 0.77 KDM4E (0.51) ABCB1TSHRAGER
Bicarbonate SCHEMBL236893 0.76 ALDH1A1 (0.57) ABCB1ADRB1ADRB3TSHRAGER

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-20160318887-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2016-11-03 — — US disclosed
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSTÄT WIEN (AT) 2015-05-21 — — 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-20160318887-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT ABCB1 1296/4885ADRB2 38/4885ADRB1 39/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT ABCB1 1296/4885ADRB2 38/4885ADRB1 39/4885

“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.

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