SCHEMBL820889

SCHEMBL820889

CC(=O)/C=C/C=C/C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THPO P40225 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.39
CA4 P22748 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GLA P06280 1/20 0.38
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 2/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
CA1 P00915 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 2/20 0.32
IAPP P10997 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
SCHEMBL11784960 1.00 TSHR (0.46) TSHRTHPOALDH1A1LMNACA4
SCHEMBL820895 1.00 TSHR (0.46) TSHRTHPOALDH1A1LMNACA4
SCHEMBL821048 1.00 TSHR (0.46) TSHRTHPOALDH1A1LMNACA4
SCHEMBL16063270 0.87
SCHEMBL10044871 0.87 TSHR (0.47) TSHRTHPOALDH1A1TDP1GLA
SCHEMBL3132514 0.87
SCHEMBL15449452 0.87 TSHR (0.47) TSHRTHPOALDH1A1TDP1GLA
SCHEMBL16917646 0.87
SCHEMBL3132513 0.87
SCHEMBL9724372 0.84 ALDH1A1 (0.43) TSHRTHPOALDH1A1TDP1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170288144-A1 ALL SOLID STATE SECONDARY BATTERY, SOLID ELECTROLYTE COMPOSITION USED THEREFOR, ELECTRODE SHEET FOR BATTERY, AND METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY AND ALL SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
US-20130167308-A1 Method of Printing HERIOT-WATT UNIVERSITY (GB) 2013-07-04 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
US-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof Amyris, Inc. (US) 2013-02-05 US disclosed
US-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110288263-A1 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES DRATHS CORPORATION (US) 2011-11-17 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-3932462-A Manufacture of unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-01-13 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 (4 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-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES CNR2, CBR1, CCR4 TSHR 4873/4885THPO 3045/4885ALDH1A1 169/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 TSHR 4840/4885THPO 3209/4885ALDH1A1 139/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM TSHR 4009/4885THPO 2256/4885ALDH1A1 211/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 TSHR 762/4885THPO 975/4885ALDH1A1 1292/4885

“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.