SCHEMBL4242070

SCHEMBL4242070

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nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 1.00
ALDH1A1 P00352 8/20 1.00
TDP1 Q9NUW8 3/20 0.39
FFAR3 O14843 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.37
FGFR4 P22455 1/20 0.37
MAPK1 P28482 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL128924 1.00
Ethylene SCHEMBL27441901 0.97
Hydrochloric Acid SCHEMBL5148304 0.97
Hydrogen Sulfide SCHEMBL23406552 0.97 TSHR (0.94) TSHRALDH1A1TDP1FFAR3LMNA
SCHEMBL30074426 0.97
Hydrogen Sulfide SCHEMBL23406579 0.97 TSHR (0.94) TSHRALDH1A1TDP1FFAR3LMNA
Nitrogen SCHEMBL27994081 0.94
Cyanide SCHEMBL28989955 0.91
SCHEMBL9635596 0.89
SCHEMBL8673377 0.87 ALDH1A1 (0.75) TSHRALDH1A1TDP1FFAR3LMNA

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-20130137625-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof SOLARBRE, INC. (US) 2013-05-30 US disclosed
US-8246869-B2 Photo-responsive microencapsulation materials, compositions and methods of use thereof SOLARBRE, INC. (US) 2012-08-21 US disclosed
US-20090202652-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof SOLARBRE, INC. (US) 2009-08-13 US disclosed
EP-1945344-A2 PHOTO-RESPONSIVE MICROENCAPSULATION MATERIALS, COMPOSITIONS AND METHODS OF USE THEREOF Solarbre, Inc. (US) 2008-07-23 EP disclosed
WO-2007051198-A2 PHOTO-RESPONSIVE MICROENCAPSULATION MATERIALS, COMPOSITIONS AND METHODS OF USE THEREOF SOLARBRE, INC (US) 2007-05-03 WO 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-20090202652-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof LIPA, LIPE, CRYAA TSHR 4608/4885ALDH1A1 3388/4885TDP1 3305/4885
US-20130137625-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof LIPA, LIPE, CRYAA TSHR 4608/4885ALDH1A1 3388/4885TDP1 3305/4885

“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.