SCHEMBL283330

SCHEMBL283330

C/C=C/CCOCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.32

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
SCHEMBL31589025 1.00 TSHR (0.46) TSHRCYP3A4MEN1THRBHTT
SCHEMBL31589280 0.93 MEN1 (0.45) TSHRMEN1THRBHTTKMT2A
SCHEMBL31202392 0.93 MEN1 (0.45) TSHRMEN1THRBHTTKMT2A
SCHEMBL31589124 0.91 MEN1 (0.48) TSHRMEN1THRBHTTKMT2A
SCHEMBL31589079 0.91 MEN1 (0.48) TSHRMEN1THRBHTTKMT2A
SCHEMBL31589085 0.91 MEN1 (0.48) TSHRMEN1THRBHTTKMT2A
SCHEMBL31589093 0.91 MEN1 (0.48) TSHRMEN1THRBHTTKMT2A
SCHEMBL31589368 0.91 MEN1 (0.48) TSHRMEN1THRBHTTKMT2A
SCHEMBL25238321 0.91 TSHR (0.46) TSHRCYP3A4MEN1THRBHTT
SCHEMBL11888046 0.86 MEN1 (0.43) TSHRMEN1THRBHTTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 TSHR 1541/4885CYP3A4 400/4885MEN1 3327/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 TSHR 1363/4885CYP3A4 1005/4885MEN1 2994/4885

“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.