Sugi Predict

Sugi Predict / Compounds / SCHEMBL161348

SCHEMBL161348

SCHEMBL161348

COc1ccc(CC=C[C]=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ IDO1 P14902 4/20 0.46
▸ AGXT P21549 2/20 0.46
▸ CMA1 P23946 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MIF P14174 1/20 0.41

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
SCHEMBL11437812 0.82 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL2300477 0.79 AGXT (0.39) TP53IDO1AGXTTAAR1CA1
SCHEMBL5607243 0.77 SMN1; SMN2 (0.57) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL12924871 0.76 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL5002160 0.76 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL190915 0.76 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL28807469 0.76 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL6176091 0.75 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL6176085 0.75 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL1741564 0.75 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4ALOX15TSHR

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 1085 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776364-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BioMarin Pharmaceutical Inc. (US) 2007-04-25 — — EP claimed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 — — WO claimed
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 — — US disclosed
WO-2024147060-A1 NOVEL IONIZABLE LIPID COMPOUNDS FOR NUCLEIC ACID DELIVERY CELON PHARMA S.A. (PL) 2024-07-11 — — WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 — — WO disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 — — US disclosed
EP-4396354-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF Wave Life Sciences Ltd. (SG) 2024-07-10 — — EP disclosed
EP-4398254-A2 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING Memorial Sloan Kettering Cancer Center (US) 2024-07-10 — — EP disclosed
WO-2024145435-A2 LIPID COMPOSITIONS AND METHODS FOR DELIVERY TO IMMUNE CELLS Life Technologies Corporation (US) 2024-07-04 — — WO disclosed
WO-2024130218-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2024-06-20 — — WO disclosed
WO-2024130217-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2024-06-20 — — WO disclosed
EP-1753713-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2007-02-21 — — EP disclosed
WO-2007008226-A2 PALLADIUM-CATALYZED CARBON-CARBON BOND FORMING REACTIONS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-01-18 — — WO disclosed
WO-2006138380-A2 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-12-28 — — WO disclosed
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-12-21 — — US disclosed
WO-2006124902-A2 SYNTHESIS OF SALINOSPORAMIDE A AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-11-23 — — WO disclosed
WO-2006102097-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-28 — — WO disclosed
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 — — US disclosed
WO-2005112945-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 — — WO disclosed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 — — 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 (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-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC ALDH1A1 4455/4885TP53 2188/4885CYP3A4 1517/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 ALDH1A1 2867/4885TP53 1404/4885CYP3A4 4157/4885
US-12037355-B2 Triterpene saponin analogues LSS, NFATC1, PGGT1B ALDH1A1 4821/4885TP53 1236/4885CYP3A4 724/4885
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof PSMB5, ERG28, PSMB11 ALDH1A1 2428/4885TP53 559/4885CYP3A4 4089/4885

“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.