SCHEMBL579709

SCHEMBL579709

CCCC(CCC(=O)OC)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
SLC1A1 P43005 1/20 0.47
TSHR P16473 5/20 0.46
HDAC7 Q8WUI4 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
ADRA1A P35348 2/20 0.41
AKR1A1 P14550 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL16388417 0.92 TSHR (0.55) CA1CA2SLC1A1TSHRCA12
SCHEMBL9508659 0.89 CA2 (0.67) CA1CA2SLC1A1TSHRTDP1
SCHEMBL9506213 0.89 CA1 (0.56) CA1CA2SLC1A1TSHRHDAC7
SCHEMBL3918683 0.87 CA1 (0.61) CA1CA2SLC1A1TSHRHDAC7
SCHEMBL28042796 0.87 CA1 (0.55) CA1CA2TSHRTDP1CYP3A4
SCHEMBL9509840 0.86 CA1 (0.62) CA1CA2SLC1A1TSHRZDHHC7
SCHEMBL11069370 0.84 SLC1A1 (0.47) CA1CA2SLC1A1TSHRHDAC7
SCHEMBL18264427 0.84 CA1 (0.50) CA1CA2TSHRHDAC7HDAC8
SCHEMBL8107918 0.84 TSHR (0.54) CA1CA2SLC1A1TSHRZDHHC7
SCHEMBL18264428 0.84 TSHR (0.52) CA1CA2SLC1A1TSHR

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
EP-2418030-B1 CURING AGENT COMPOSITION KAO CORP (JP) 2019-09-25 EP claimed
CN-102387877-A Curing agent composition KAO CORP 2012-03-21 CN claimed
US-20120043694-A1 CURING AGENT COMPOSITION KAO CORPORATION (JP) 2012-02-23 US claimed
EP-2418030-A1 CURING AGENT COMPOSITION Kao Corporation (JP) 2012-02-15 EP claimed
EP-2418030-B1 CURING AGENT COMPOSITION KAO CORP (JP) 2019-09-25 EP disclosed
EP-2581148-B1 PROCESS FOR PRODUCTION OF MOLDS KAO CORP (JP) 2018-10-24 EP disclosed
US-9976165-B2 Methods for increasing molecular diversity of polyketides and non-ribosomal proteins ISOMERASE THERAPEUTICS, LTD. (GB) 2018-05-22 US disclosed
CN-105348185-B Bicyclic [3.2.1] octyl group amide derivatives and application thereof H.隆德贝克有限公司 2018-02-16 CN disclosed
CN-107531693-A Novel 5 or 8-substituted imidazo [1, 5-a ] pyridines as inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 百济神州有限公司 2018-01-02 CN disclosed
US-20170101659-A1 METHODS FOR INCREASING MOLECULAR DIVERSITY OF POLYKETIDES AND NON-RIBOSOMAL PROTEINS Isomerase Therapeutics Ltd. (GB) 2017-04-13 US disclosed
US-9505773-B2 Rapamycin analogues and their pharmaceutical use Isomerase Therapeutics Ltd. (GB) 2016-11-29 US disclosed
US-20160176893-A1 RAPAMYCIN ANALOGUES AND THEIR PHARMACEUTICAL USE ISOMERASE THERAPEUTICS, LTD. (GB) 2016-06-23 US disclosed
EP-2581148-A1 PROCESS FOR PRODUCTION OF MOLDS Kao Corporation (JP) 2013-04-17 EP disclosed
US-20120261087-A1 PROCESS FOR PRODUCING A MOLD KAO CORPORTATION (JP) 2012-10-18 US disclosed
CN-102665961-A Process for production of molds KAO CORP 2012-09-12 CN disclosed
CN-102387877-A Curing agent composition KAO CORP 2012-03-21 CN disclosed
US-20120043694-A1 CURING AGENT COMPOSITION KAO CORPORATION (JP) 2012-02-23 US disclosed
EP-2418030-A1 CURING AGENT COMPOSITION Kao Corporation (JP) 2012-02-15 EP disclosed
EP-0338427-B1 PROCESS FOR THE PREPARATION OF ESTERS OLEFINIC UNSATURATED CARBOXYLIC ACIDS WITH A TERMINAL ESTER GROUP BASF Aktiengesellschaft (DE) 1993-08-18 EP disclosed
EP-0338427-A2 Process for the preparation of esters olefinic unsaturated carboxylic acids with a terminal ester group BASF Aktiengesellschaft (DE) 1989-10-25 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-20160176893-A1 RAPAMYCIN ANALOGUES AND THEIR PHARMACEUTICAL USE FKBP1A, FKBP1B, FKBP2 CA1 4726/4885CA2 3673/4885SLC1A1 4564/4885
US-20120043694-A1 CURING AGENT COMPOSITION ERG28, SMARCA5, MYB CA1 2337/4885CA2 3521/4885SLC1A1 4196/4885

“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.