SCHEMBL12092864

SCHEMBL12092864

CCCOC(=O)c1ccc(C(=O)OCCO)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.72
▸ TSHR P16473 3/20 0.72
▸ ESR1 P03372 3/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ KDR P35968 1/20 0.72
▸ LMNA P02545 4/20 0.69
▸ STS P08842 2/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NR1H2 P55055 1/20 0.58
▸ RNASEL Q05823 1/20 0.58
▸ HPGD P15428 3/20 0.57
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ PDE4D Q08499 1/20 0.56

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
SCHEMBL29311434 0.98 ALDH1A1 (0.70) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL49950 0.92 ALDH1A1 (0.84) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27647510 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27667922 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27647504 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27647586 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
Methane SCHEMBL27699232 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27647501 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL28758641 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27667930 0.90 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914816-B2 Methods and materials for depolymerizing polyesters INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-03-13 — — US disclosed
CN-105492688-B Treatment agent for synthetic fibers and use thereof 松本油脂制药株式会社 2017-05-24 — — CN disclosed
US-20170081482-A1 GRAPHENE REINFORCED POLYETHYLENE TEREPHTHALATE WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2017-03-23 — — US disclosed
CN-105492688-A Treatment agent for synthetic fibers and use thereof MATSUMOTO YUSHI-SEIYAKU CO LTD 2016-04-13 — — CN disclosed
US-20160060419-A1 METHODS AND MATERIALS FOR DEPOLYMERIZING POLYESTERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-03-03 — — US disclosed
US-9255194-B2 Methods and materials for depolymerizing polyesters INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-02-09 — — US disclosed
US-20150105532-A1 METHODS AND MATERIALS FOR DEPOLYMERIZING POLYESTERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-04-16 — — US disclosed
CN-104364372-A Recombinant microorganism CARBIOS 2015-02-18 — — CN disclosed
CN-104039197-A Cosmetic Applicator KAO CORP 2014-09-10 — — CN disclosed
US-20130251778-A1 MEDICAL DEVICES FOR THERAPEUTIC AGENT DELIVERY WITH POLYMERIC REGIONS THAT CONTAIN COPOLYMERS HAVING BOTH SOFT SEGMENTS AND UNIFORM LENGTH HARD SEGMENTS BOSTON SCIENTIFIC SCIMED, INC. (US) 2013-09-26 — — US disclosed
US-8541477-B2 Methods of depolymerizing terephthalate polyesters INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-09-24 — — US disclosed
US-8440214-B2 Medical devices for therapeutic agent delivery with polymeric regions that contain copolymers having both soft segments and uniform length hard segments BOSTON SCIENTIFIC SCIMED, INC. (US) 2013-05-14 — — US disclosed
US-20120223270-A1 METHODS OF DEPOLYMERIZING TEREPHTHALATE POLYESTERS KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2012-09-06 — — US disclosed
US-20110207168-A1 Fiber-Based Biosensors for Use in Detecting the Presence of a Biologically Active Substance NATIONAL SCIENCE FOUNDATION 2011-08-25 — — US disclosed
US-7615580-B2 Ester alcohols and substituted carbamates thereof for minimizing deterioration of polyurethane foams AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-11-10 — — US disclosed
US-7544800-B2 Catalytic depolymerization of polymers containing electrophilic linkages using nucleophilic reagents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-09 — — US disclosed
US-20080213823-A1 CAPILLARY-CHANNELED POLYMER FILM FLOW CYTOMETRY CLEMSON UNIVERSITY 2008-09-04 — — 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 (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-20120223270-A1 METHODS OF DEPOLYMERIZING TEREPHTHALATE POLYESTERS DDT, TRHDE, TERT ALDH1A1 2617/4885TSHR 1355/4885ESR1 3395/4885
US-20150105532-A1 METHODS AND MATERIALS FOR DEPOLYMERIZING POLYESTERS TKT, DERA, KHK ALDH1A1 978/4885TSHR 4044/4885ESR1 3294/4885

“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.

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