SCHEMBL17342675

SCHEMBL17342675

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nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TP53 P04637 1/20 0.32
APP P05067 1/20 0.32
ALOX15 P16050 1/20 0.32
SNCA P37840 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 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
SCHEMBL18531567 1.00 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHRTRPV1TP53
SCHEMBL3681475 0.85 PTPN2 (0.44) CYP3A4TP53ALOX15PTPN2PTPN1
SCHEMBL30200170 0.83 UGT2B7 (0.32) ALDH1A1CYP3A4TSHRTP53APP
SCHEMBL29934831 0.73 TRPC6 (0.32) CYP3A4TP53ALOX15
SCHEMBL3678939 0.71 PTPN2 (0.41) CYP3A4TSHRTP53PTPN2PTPN1
SCHEMBL30200341 0.70 PTPN2 (0.38) CYP3A4TSHRTP53PTPN2PTPN1
SCHEMBL28920408 0.65 TTL (0.44)
SCHEMBL29551597 0.65 MAPT (0.40) ALDH1A1CYP3A4TSHRTP53ALOX15
SCHEMBL8731622 0.65 MAPT (0.40) ALDH1A1CYP3A4TSHRTP53ALOX15
SCHEMBL29922526 0.65 MAPT (0.40) ALDH1A1CYP3A4TSHRTP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758499-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-09-12 US disclosed
US-9758499-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-09-12 US disclosed
US-20170129865-A1 STEREO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2017-05-11 US disclosed
US-20170129865-A1 STEREO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2017-05-11 US disclosed
US-9573871-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-02-21 US disclosed
US-9573871-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-02-21 US disclosed
US-20150361019-A1 STERO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2015-12-17 US disclosed
US-20150361019-A1 STERO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2015-12-17 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 (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-20170129865-A1 STEREO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT EPRS1, DHPS, RPL14 ALDH1A1 2004/4885CYP3A4 1780/4885TSHR 1188/4885
US-20150361019-A1 STERO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT EPRS1, DHPS, LSS ALDH1A1 1870/4885CYP3A4 1099/4885TSHR 649/4885

“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.