SCHEMBL7706394

SCHEMBL7706394

COc1ccc2ccccc2c1C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.60
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CNR2 P34972 3/20 0.54
MAPT P10636 5/20 0.53
CNR1 P21554 1/20 0.52
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
MTNR1A P48039 1/20 0.50

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
SCHEMBL23499947 0.91 CNR2 (0.59) CTSDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL11574652 0.89 ALDH1A1 (0.54) CTSDCYP2C19CYP2C9CNR2MAPT
SCHEMBL7500668 0.88 CTSD (0.52) CTSDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL979842 0.86 CA12 (0.58) CTSDCYP1A2CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5403782 0.85 CA12 (0.56) CTSDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL24954211 0.84 ABCG2 (0.57) CTSDCYP1A2CYP2C19CYP3A4CNR2
SCHEMBL29625745 0.84 ABCG2 (0.57) CTSDCYP1A2CYP2C19CYP3A4CNR2
SCHEMBL3357585 0.83 NCEH1 (0.65) CTSDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL30676839 0.83 NCEH1 (0.65) CTSDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL18288073 0.83 ALDH1A1 (0.58) CTSDKDM4EHSD17B10LMNAALDH1A1

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-12042788-B2 Strongly Lewis acidic metal-organic frameworks for continuous flow catalysis THE UNIVERSITY OF CHICAGO (US) 2024-07-23 US disclosed
US-20210053042-A1 STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS NATIONAL SCIENCE FOUNDATION 2021-02-25 US disclosed
US-20210053042-A1 STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS NATIONAL SCIENCE FOUNDATION 2021-02-25 US disclosed
US-6348631-B1 REACTING AROMATIC COMPOUND WITH ACYLATING OR SULFONYLATING AGENT IN PRESENCE OF FRIEDEL-CRAFTS CATALYST, WHEREIN ACYLATION OR SULFONYLATION REACTION IS CARRIED OUT IN LIQUID PHASE UNDER MICROWAVE IRRADIATION RHODIA CHIMIE (FR) 2002-02-19 US disclosed
EP-1019351-A1 METHOD FOR ACYLATION OR SULPHONATION OF AN AROMATIC COMPOUND RHODIA CHIMIE (FR) 2000-07-19 EP disclosed
CN-1249737-A Method for acylation or sulphonation of aromatic compound RHODIA CHIMIE SA (FR) 2000-04-05 CN disclosed
WO-1998040339-A1 METHOD FOR ACYLATION OR SULPHONATION OF AN AROMATIC COMPOUND RHODIA CHIMIE (FR) 1998-09-17 WO disclosed
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP 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-12042788-B2 Strongly Lewis acidic metal-organic frameworks for continuous flow catalysis CD69, TECR, MCM4 CTSD 1986/4885CYP1A2 1493/4885CYP2C19 2057/4885
US-20210053042-A1 STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS CD69, TECR, MCM4 CTSD 1986/4885CYP1A2 1493/4885CYP2C19 2057/4885

“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.