SCHEMBL127406

SCHEMBL127406

CC[CH]C(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL127788 0.84 TSHR (0.57) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL128626 0.82 TSHR (0.59) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL129292 0.81 TSHR (0.53) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL2408629 0.80 TSHR (0.63) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL127994 0.80 TSHR (0.57) TSHRALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL27756219 0.79 TSHR (0.52) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10665241 0.79 TSHR (0.52) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL128510 0.79 TSHR (0.52) TSHRMAPTHCAR2ATM
SCHEMBL2409688 0.78 TSHR (0.61) TSHRALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL1882711 0.78 TSHR (0.55) TSHRALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
US-20140357654-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF a4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP AESTUS THERAPEUTICS, INC. (US) 2014-12-04 US disclosed
EP-2775840-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF 4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP Aestus Therapeutics, Inc. (US) 2014-09-17 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
WO-2013070842-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF α4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP AESTUS THERAPEUTICS, INC. (US) 2013-05-16 WO disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-7557130-B2 Bicyclic heteroaromatic alanines UCB PHARMA, S.A. (BE) 2009-07-07 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
EP-0361255-B1 LIQUID-CRYSTAL MIXTURES CONTAINING AZULENE SQUARE ACID DYE BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
US-5084592-A Dyes for optical recording media BASF AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
US-5071588-A Solubility; dichromism; ensures optimal absorption of wiring laser BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0361255-A1 Liquid-crystal mixtures containing azulene square acid dye BASF Aktiengesellschaft (DE) 1990-04-04 EP disclosed
EP-0310080-A2 Azulene-squarillic dyes, azulenes as their intermediary products, and optical recording medium BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed
EP-0242767-A2 N-dihydroindolyl ethyl-sulfon amides BAYER AG (DE) 1987-10-28 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-20140357654-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF a4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP ITGA4, ITGB4, EPB41 TSHR 1295/4885ALDH1A1 522/4885HPGD 2577/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR TSHR 611/4885ALDH1A1 1822/4885HPGD 1335/4885

“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.