SCHEMBL69985

SCHEMBL69985

Cc1cc2c(cc1C)N1CCOCCOCCN(CCOCCOCC1)c1cc(C)c(C)cc1OCCN(c1ccccc1C)CCO2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRB1 P08588 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
PRKDC P78527 1/20 0.43
FGB P02675 1/20 0.43
NCF1 P14598 1/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
NSD2 O96028 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL70655 0.87 AKR1C3 (0.49) AKR1C3ALOX15HSD17B10ADRB1SLC6A5
SCHEMBL1450530 0.84 AKR1C3 (0.68) AKR1C3ALOX15HSD17B10ADRB1SLC6A5
Ammonia Solution, Strong SCHEMBL28721079 0.82 AKR1C3 (0.66) AKR1C3ALOX15HSD17B10ADRB1SLC6A5
Boric Acid SCHEMBL6314068 0.78 AKR1C3 (0.65) AKR1C3ALOX15HSD17B10ADRB1SLC6A5
SCHEMBL3436629 0.78 AKR1C3 (0.60) AKR1C3ALOX15HSD17B10ADRB1SLC6A5
SCHEMBL15479698 0.74 LMNA (0.65) ALOX15HSD17B10ADRB1L3MBTL1LMNA
SCHEMBL881474 0.72 LMNA (0.61) ALOX15HSD17B10ADRB1L3MBTL1LMNA
SCHEMBL27432567 0.72 L3MBTL1 (0.50) L3MBTL1FGBLMNAPOLB
SCHEMBL3436474 0.72 AKR1C3 (0.61) AKR1C3ADRB1ALDH1A1
SCHEMBL19170774 0.71 ALDH1A1 (0.51) AKR1C3ALOX15HSD17B10HPGDL3MBTL1

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-8129365-B2 Water-soluble, fluorescent compounds for detection of potassium ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-06 US disclosed
US-20080311041-A1 Water-Soluble, Fluorescent Compounds for Detection of Potassium Ions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 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 (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-20080311041-A1 Water-Soluble, Fluorescent Compounds for Detection of Potassium Ions TACR2, KCNJ8, TAC3 AKR1C3 304/4885ALOX15 3768/4885HSD17B10 3222/4885

“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.