SCHEMBL68071

SCHEMBL68071

Cc1c(O)cc(O)c(C)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
CYP3A4 P08684 3/20 0.48
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
SELE P16581 1/20 0.42
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
ALOX15 P16050 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TRPA1 O75762 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
ALOX12 P18054 2/20 0.38
CYP2D6 P10635 1/20 0.38
G6PD P11413 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL393790 0.83 ACHE (0.50) ACHECYP3A4SELLSELPSELE
SCHEMBL5463498 0.83 SELL (0.50) ACHECYP3A4SELLSELPSELE
SCHEMBL19765505 0.83 ACHE (0.50) ACHECYP3A4SELLSELPSELE
SCHEMBL31305641 0.83 ACHE (0.50) ACHECYP3A4SELLSELPSELE
SCHEMBL3195155 0.81 ACHE (0.56) ACHECYP3A4SELLSELPSELE
SCHEMBL18109802 0.81 ACHE (0.48) ACHECYP3A4SELLSELPSELE
Ethane SCHEMBL27864417 0.81 ACHE (0.48) ACHECYP3A4SELLSELPSELE
SCHEMBL28823581 0.81 ACHE (0.48) ACHECYP3A4SELLSELPSELE
Phosphine SCHEMBL27559253 0.81 ACHE (0.48) ACHECYP3A4SELLSELPSELE
SCHEMBL11330631 0.78 ACHE (0.46) ACHECYP3A4SELLSELPSELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137579-A1 Treatment of Lignocellulosic Biomass with Aromatic Chemicals as Scavengers ETH ZURICH (CH) 2017-05-18 US claimed
EP-3158128-A1 TREATMENT OF LIGNOCELLULOSIC BIOMASS WITH AROMATIC CHEMICALS AS SCAVENGERS ETH Zurich (CH) 2017-04-26 EP claimed
WO-2015193243-A1 TREATMENT OF LIGNOCELLULOSIC BIOMASS WITH AROMATIC CHEMICALS AS SCAVENGERS ETH ZURICH (CH) 2015-12-23 WO claimed
CN-107920973-B Surface modification composition 株式会社LG生活健康 2021-05-07 CN disclosed
US-10370501-B2 Treatment of lignocellulosic biomass with aromatic chemicals as scavengers ETH ZURICH (CH) 2019-08-06 US disclosed
US-20170137579-A1 Treatment of Lignocellulosic Biomass with Aromatic Chemicals as Scavengers ETH ZURICH (CH) 2017-05-18 US disclosed
EP-3158128-A1 TREATMENT OF LIGNOCELLULOSIC BIOMASS WITH AROMATIC CHEMICALS AS SCAVENGERS ETH Zurich (CH) 2017-04-26 EP disclosed
WO-2015193243-A1 TREATMENT OF LIGNOCELLULOSIC BIOMASS WITH AROMATIC CHEMICALS AS SCAVENGERS ETH ZURICH (CH) 2015-12-23 WO disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-4180692-A AROMATIC MOLYBDENUM TRICARBONYL AS CATALYST THE UNIVERSITY OF AKRON (US) 1979-12-25 US disclosed
US-4038324-A FRIEDEL-CRAFTS REACTIONS, ARENE-METAL TRICARBONYL CATALYST THE UNIVERSITY OF AKRON (US) 1977-07-26 US disclosed
US-3984483-A FRIEDEL-CRAFTS REACTION THE UNIVERSITY OF AKRON (US) 1976-10-05 US disclosed
US-3946072-A ARENE-METAL TRICARBONYL COMPLEXES AS CATALYSTS, ALKYLATION, ACYLATION THE UNIVERSITY OF AKRON (US) 1976-03-23 US disclosed
US-3933752-A COPOLYMERIZATION USING ARENE-METAL TRICARBONYL FRIEDEL-CRAFTS CATALYSTS THE UNIVERSITY OF AKRON (US) 1976-01-20 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 (1 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ACHE 4447/4885CYP3A4 2028/4885SELL 4434/4885

“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.