SCHEMBL6700987

SCHEMBL6700987

O=C(CCOc1ccccc1)OC(=O)CCOc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PKM P14618 1/20 0.55
RECQL P46063 3/20 0.54
TSHR P16473 1/20 0.54
KCNA3 P22001 1/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.52
PARP10 Q53GL7 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALOX5 P09917 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
MMP3 P08254 1/20 0.50
MEN1 O00255 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
SCHEMBL6937827 0.93 RECQL (0.53) CYP1A2CYP3A4CYP2C9CYP2C19PKM
SCHEMBL10552333 0.90 L3MBTL1 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19PKM
SCHEMBL27528801 0.89 MTNR1A (0.53) CYP1A2CYP3A4CYP2C9CYP2C19PKM
SCHEMBL11577655 0.86 HDAC1 (0.65) KCNA3HDAC1HDAC2
SCHEMBL11617521 0.86 HDAC1 (0.65) KCNA3HDAC1HDAC2
SCHEMBL11780338 0.86 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19PKM
SCHEMBL14317565 0.86 MTNR1A (0.50) CYP1A2CYP3A4CYP2C9CYP2C19PKM
SCHEMBL4589730 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19PKM
SCHEMBL1811389 0.84 RAB9A (0.59) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL27888911 0.83 RAB9A (0.55) RECQLTSHRALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117583025-A High-selectivity anisole acetylation reaction solid acid catalyst and application method thereof 浙江环化科技有限公司 2024-02-23 CN disclosed
US-20040102654-A1 Process facilitating the regeneration of a catalyst based on a zeolite used in an acylation reaction, catalyst and use SPAGNOL MICHEL (FR) 2004-05-27 US disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-20020120169-A1 Process facilitating the regeneration of a catalyst based on a zeolite used in an acylation reaction, catalyst and use SPAGNOL MICHEL (FR) 2002-08-29 US disclosed
US-6194616-B1 MIXING AROMATIC COMPOUND AND ACYLATION COMPOUND FORMING REACTION MIXTURE; PASSING MIXTURE OVER CATALYTIC BED COMPRISING ZEOLITE; RECIRCULATING REACTION MIXTURE FROM CATALYTIC BED OVER CATALYTIC BED RHODIA CHIMIE (FR) 2001-02-27 US disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed
US-4855460-A ZINC OR CADMIUM CATALYST RHONE-POULENC CHIMIE (FR) 1989-08-08 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-20020120169-A1 Process facilitating the regeneration of a catalyst based on a zeolite used in an acylation reaction, catalyst and use AFF4, APEH, TECR CYP1A2 942/4885CYP3A4 487/4885CYP2C9 1103/4885

“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.