SCHEMBL161066

SCHEMBL161066

COc1cc(C=O)ccc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 3/20 0.67
MAPT P10636 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
FDPS P14324 1/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
APP P05067 5/20 0.63
TSHR P16473 1/20 0.62
TTR P02766 1/20 0.61
HPGD P15428 3/20 0.60
KDM4E B2RXH2 1/20 0.59
CYP2C9 P11712 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PDCD1 Q15116 1/20 0.58
CD274 Q9NZQ7 1/20 0.58

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
SCHEMBL29377794 0.94 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL752160 0.94 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL6232167 0.93 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL8698472 0.93 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL19658009 0.92 FDPS (0.65) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL29446267 0.91 TACR2 (0.62) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL584489 0.91 TACR2 (0.62) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL30027863 0.90 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL30028779 0.90 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTMAPTNPC1
SCHEMBL2463491 0.89 NPC1 (0.63) ALDH1A1SMN1; SMN2HTTMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707647-A Preparation method of dendrobe phenol 安徽中医药大学 2025-03-28 CN claimed
US-10689577-B2 Bondable flame-retardant vanillin-derived molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-23 US claimed
US-10689580-B2 Flame-retardant vanillin-derived monomers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-23 US claimed
US-20190225888-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-07-25 US claimed
US-20190106632-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-04-11 US claimed
US-20180320075-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-11-08 US claimed
US-20180320073-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-11-08 US claimed
WO-2015121379-A2 METHODS OF IMPROVING PRODUCTION OF VANILLIN EVOLVA SA (CH) 2015-08-20 WO claimed
EP-2460855-A2 Oxygen scavenging compositions and packaging comprising said compositions Constar International Inc. (US) 2012-06-06 EP claimed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 US claimed
EP-1848659-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS Constar International Inc. (US) 2007-10-31 EP claimed
CN-1876650-A N-(4-bromo-2- fluorobenzene)-6-methox-7-[2(1H-1,2,3-1- triazole) ethoxy]-4-quinazoline amine hydrochloric acid synthesis and uses INST OF BIOLOGY SHANDONG ACADE (CN) 2006-12-13 CN claimed
WO-2006088889-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS CONSTAR INTERNATIONAL, INC. (US) 2006-08-24 WO claimed
US-20060180790-A1 polyesters; melt polymerization; packaging CONSTAR INTERNATIONAL INC. (US) 2006-08-17 US claimed
US-7084281-B2 Synthesis of dihalohydrins and tri- and tetra-substituted olefins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-08-01 US claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
US-20040143125-A1 Synthesis of dihalohydrins and tri- and tetra-substituted olefins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-07-22 US claimed
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 EP claimed
US-5931995-A Ink compositions XEROX CORPORATION (US) 1999-08-03 US claimed
EP-0674232-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-10689580-B2 Flame-retardant vanillin-derived monomers PFAS, VCL, PTK2 ALDH1A1 1494/4885SMN1; SMN2 3701/4885HTT 3504/4885
US-20040143125-A1 Synthesis of dihalohydrins and tri- and tetra-substituted olefins TALDO1, HDHD5, TKT ALDH1A1 374/4885SMN1; SMN2 4691/4885HTT 2296/4885
US-10689577-B2 Bondable flame-retardant vanillin-derived molecules PFAS, VCL, PTK2 ALDH1A1 1519/4885SMN1; SMN2 4463/4885HTT 3480/4885
US-20180320073-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES PFAS, VCL, PTK2 ALDH1A1 1519/4885SMN1; SMN2 4463/4885HTT 3480/4885
US-20190225888-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS PFAS, VCL, PTK2 ALDH1A1 1494/4885SMN1; SMN2 3701/4885HTT 3504/4885
US-20190106632-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES PFAS, VCL, PTK2 ALDH1A1 1519/4885SMN1; SMN2 4463/4885HTT 3480/4885
US-20180320075-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS PFAS, VCL, PTK2 ALDH1A1 1494/4885SMN1; SMN2 3701/4885HTT 3504/4885
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 ALDH1A1 2200/4885SMN1; SMN2 2139/4885HTT 627/4885

“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.