SCHEMBL265598

SCHEMBL265598

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nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
PDE4A P27815 1/20 0.50
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SLC7A5 Q01650 1/20 0.33
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1832088 1.00 TSHR (0.50) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL17887907 1.00 TSHR (0.50) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL29709585 1.00 TSHR (0.50) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL11059297 1.00 TSHR (0.50) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL12904430 1.00 TSHR (0.50) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL19127751 1.00 TSHR (0.50) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL7148974 1.00 TSHR (0.50) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL28773455 0.97 PDE4A (0.48) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL4049818 0.92 PDE4A (0.44) TSHRPDE4ATP53CYP2C9ALDH1A1
SCHEMBL15841482 0.91 TSHR (0.53) TSHRPDE4ATP53CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10008749-B2 Lithium ion battery GM Global Technology Operations LLC (US) 2018-06-26 US disclosed
US-20170365883-A1 LITHIUM ION BATTERY BAR ILAN UNIVERSITY (IL) 2017-12-21 US disclosed
US-20170365882-A1 LITHIUM ION BATTERY GM Global Technology Operations LLC 2017-12-21 US disclosed
US-9776945-B2 Preparation and separation of a di-carboxylic acid-containing mixture RENNOVIA INC. (US) 2017-10-03 US disclosed
US-9776945-B2 Preparation and separation of a di-carboxylic acid-containing mixture RENNOVIA INC. (US) 2017-10-03 US disclosed
US-20160090346-A1 PREPARATION AND SEPARATION OF A DI-CARBOXYLIC ACID-CONTAINING MIXTURE RENNOVIA INC. (US) 2016-03-31 US disclosed
US-20160090346-A1 PREPARATION AND SEPARATION OF A DI-CARBOXYLIC ACID-CONTAINING MIXTURE RENNOVIA INC. (US) 2016-03-31 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
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-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-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
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 (3 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 1541/4885PDE4A 269/4885TP53 2980/4885
US-20160090346-A1 PREPARATION AND SEPARATION OF A DI-CARBOXYLIC ACID-CONTAINING MIXTURE ALDOA, DERA, PGD TSHR 4653/4885PDE4A 3857/4885TP53 1468/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 TSHR 1363/4885PDE4A 367/4885TP53 3598/4885

“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.