SCHEMBL70655

SCHEMBL70655

Cc1ccc2c(c1)OCCN(c1ccccc1C)CCOc1cc(C)ccc1N1CCOCCOCCN2CCOCCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SLC6A5 Q9Y345 1/20 0.44
PRKDC P78527 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NSD2 O96028 1/20 0.42
ADRB1 P08588 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL69985 0.87 AKR1C3 (0.52) AKR1C3ALDH1A1SLC6A5PRKDCALOX15
SCHEMBL23084117 0.85 PRKDC (0.47) ALDH1A1PRKDCALOX15HSD17B10LMNA
SCHEMBL23084165 0.81 PRKDC (0.44) ALDH1A1PRKDCALOX15HSD17B10LMNA
SCHEMBL1450530 0.81 AKR1C3 (0.68) AKR1C3ALDH1A1SLC6A5PRKDCALOX15
SCHEMBL70658 0.79 DRD2 (0.44) AKR1C3ALDH1A1MEN1CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL28721079 0.79 AKR1C3 (0.66) AKR1C3ALDH1A1SLC6A5PRKDCALOX15
SCHEMBL12385911 0.77 ALDH1A1 (0.69) AKR1C3ALDH1A1PRKDCLMNAL3MBTL1
Boric Acid SCHEMBL6314068 0.75 AKR1C3 (0.65) AKR1C3ALDH1A1SLC6A5PRKDCALOX15
SCHEMBL3436629 0.75 AKR1C3 (0.60) AKR1C3ALDH1A1SLC6A5PRKDCALOX15
SCHEMBL3885064 0.74 KMT2A (0.53) ALDH1A1PRKDCHSD17B10LMNAL3MBTL1

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 304/4885ALDH1A1 3059/4885SLC6A5 144/4885

“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.