SCHEMBL159668

SCHEMBL159668

C=CCOC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 2/20 0.45
MIF P14174 1/20 0.45
MMP9 P14780 2/20 0.45
MMP1 P03956 1/20 0.45
PKM P14618 1/20 0.44
MMP2 P08253 1/20 0.44
MMP12 P39900 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL4680444 0.90 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL29195593 0.89 LMNA (0.50) SMN1; SMN2ALDH1A1CYP3A4HTTNPC1
SCHEMBL292834 0.87 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HTTNPC1POLB
SCHEMBL175910 0.86 HTR2A (0.49) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL4679934 0.86 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4680610 0.85 CYP3A4 (0.48) ALDH1A1CYP3A4TSHRHTTMMP9
SCHEMBL174408 0.81 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TP53CYP3A4HTT
SCHEMBL697620 0.80 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HTTNPC1POLB
SCHEMBL22028109 0.80 LTA4H (0.58) SMN1; SMN2ALDH1A1HTTNPC1POLB
SCHEMBL166548 0.80 CYP3A4 (0.53) SMN1; SMN2ALDH1A1CYP3A4ALOX15TSHR

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 1744 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 EP claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 US disclosed
CN-118355117-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2024-07-16 CN 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-4398254-A2 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING Memorial Sloan Kettering Cancer Center (US) 2024-07-10 EP disclosed
WO-2007008226-A9 PALLADIUM-CATALYZED CARBON-CARBON BOND FORMING REACTIONS HARVARD COLLEGE (US) 2007-05-24 WO disclosed
US-20070066851-A1 Palladium-catalyzed carbon-carbon bond forming reactions NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2007-03-22 US 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
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 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 (7 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-20070066851-A1 Palladium-catalyzed carbon-carbon bond forming reactions APEX1, PCNA, DNMT3A SMN1; SMN2 3654/4885ALDH1A1 564/4885TP53 2229/4885
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC SMN1; SMN2 3539/4885ALDH1A1 4455/4885TP53 2188/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 SMN1; SMN2 695/4885ALDH1A1 2867/4885TP53 1404/4885
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 SMN1; SMN2 4322/4885ALDH1A1 2344/4885TP53 1624/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 SMN1; SMN2 1868/4885ALDH1A1 4404/4885TP53 164/4885
US-12037355-B2 Triterpene saponin analogues LSS, NFATC1, PGGT1B SMN1; SMN2 4162/4885ALDH1A1 4821/4885TP53 1236/4885
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof PSMB5, ERG28, PSMB11 SMN1; SMN2 2614/4885ALDH1A1 2428/4885TP53 559/4885

“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.