SCHEMBL6654130

SCHEMBL6654130

CCCCOC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.71
TSHR P16473 3/20 0.71
LMNA P02545 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP2D6 P10635 1/20 0.71
MAPK1 P28482 1/20 0.71
NR1H2 P55055 1/20 0.71
RNASEL Q05823 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ALDH1A1 P00352 1/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A2 P23975 1/20 0.57
KDR P35968 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
PDE4D Q08499 1/20 0.56
STS P08842 3/20 0.54
HPGD P15428 1/20 0.51

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
SCHEMBL6648699 0.95 ESR1 (0.65) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL4945610 0.94 ESR1 (0.63) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL6652236 0.94 ESR1 (0.63) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL6652345 0.94 ESR1 (0.63) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL6650964 0.94 ESR1 (0.63) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL709064 0.92 ESR1 (0.67) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL6649099 0.92 ESR1 (0.60) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL6651694 0.92 ESR1 (0.60) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL5599708 0.91 ESR1 (0.70) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL24517722 0.89 HDAC6 (0.55) ESR1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103159943-B Method for synthesizing liquid crystal polyester by using rare earth catalyst KINGFA TECHNOLOGY CO., LTD. (CN) 2014-10-29 CN claimed
CN-103159943-B Method for synthesizing liquid crystal polyester by using rare earth catalyst KINGFA TECHNOLOGY CO., LTD. (CN) 2014-10-29 CN disclosed
CN-103159943-A Method for synthesizing liquid crystal polyester by using rare earth catalyst KINGFA SCIENCE & TECHNOLOGY CO 2013-06-19 CN disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO disclosed
EP-1120399-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2004-06-09 EP disclosed
EP-1120400-B1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2003-09-24 EP disclosed
EP-0757032-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-12-12 EP disclosed
EP-1120400-A1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
EP-1120399-A1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
US-5298593-A Polymerization of ester monomer, aromatic dicarboxylic acid, and oxyaromatic carboxylic acid MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1994-03-29 US disclosed
EP-0520428-A2 Method of producing thermotropic liquid crystalline polyester MITSUBISHI CHEMICAL CORPORATION (JP) 1992-12-30 EP disclosed
US-4937310-A PROCESSABILITY AND HEAT RESISTANCE; POLYLACTONE COPOLYMERS OF P-HYDROXYBENZOIC ACID, 6-HYDROXYNAPHTHOIC ACID, RESORCINOL AND ISO-AND TEREPHTHALIC ACID POLYPLASTICS CO., LTD. (JP) 1990-06-26 US disclosed
US-4920197-A Aromatic polyester POLYPLASTICS CO., LTD. (JP) 1990-04-24 US disclosed
US-4918154-A COPOLYMER OF P-HYDROXYBENZOIC ACID, 6-HYDROXYL-2-NAPHTHOIC ACID, HYDROQUINONE, RESORCINOL, TEREPHTHALIC ACID, AND ISOPHTHALIC ACID; MELT PROCESSABILITY, HEAT RESISTANCE POLYPLASTICS CO., LTD. (JP) 1990-04-17 US disclosed
US-4910284-A Aromatic polyester POLYPLASTICS CO., LTD. (JP) 1990-03-20 US disclosed
EP-0337727-A2 Polyester resin exhibiting optical anisotropy in molten state and composition thereof POLYPLASTICS CO. LTD. (JP) 1989-10-18 EP disclosed
EP-0337729-A2 Polyester resin exhibiting optical anisotropy in molten state and composition thereof POLYPLASTICS CO. LTD. (JP) 1989-10-18 EP disclosed
EP-0337728-A2 Polyester resin exhibiting optical anisotropy in molten state and composition thereof POLYPLASTICS CO. LTD. (JP) 1989-10-18 EP disclosed
EP-0334619-A2 Polyester resin exhibiting anisotropy in molten state and composition thereof POLYPLASTICS CO. LTD. (JP) 1989-09-27 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 (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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 ESR1 4281/4885TSHR 4189/4885LMNA 2889/4885

“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.