SCHEMBL6888975

SCHEMBL6888975

CCOC(=O)c1ccccc1C(N)=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.81
ALDH1A1 P00352 5/20 0.68
HSD17B10 Q99714 3/20 0.68
CDC25B P30305 3/20 0.57
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.51
KDM4E B2RXH2 3/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25C P30307 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
Diethyl Phthalate SCHEMBL27603722 0.92 TSHR (0.88) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL22296 0.90 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL5306972 0.90 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL29404255 0.90 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL30925693 0.88 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL7520316 0.88 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL19252611 0.88 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL30120741 0.88 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL8577506 0.88 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1
Diethyl Phthalate SCHEMBL28775845 0.88 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-4970297-A CONTAINING ISOXAZOLE RING SYNTEX (U.S.A.) INC. (US) 1990-11-13 US claimed
CN-107690432-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2019-12-24 CN disclosed
US-20160291029-A1 Novel Fluorescent Dyes, Labeled Conjugates and Analytical Methods PAI RAMDAS P (US) 2016-10-06 US disclosed
US-9372194-B2 Fluorescent dyes, labeled conjugates and analytical methods PAI RAMDAS (US) 2016-06-21 US disclosed
US-20150177255-A1 NOVEL FLUORESCENT DYES, LABELED CONJUGATES AND ANALYTICAL METHODS Scintillon Research LLC (US) 2015-06-25 US disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
CN-1131128-A Oxidation of organic halogen compounds in waste waters BASF AG (DE) 1996-09-18 CN disclosed
US-4970297-A CONTAINING ISOXAZOLE RING SYNTEX (U.S.A.) INC. (US) 1990-11-13 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-20160291029-A1 Novel Fluorescent Dyes, Labeled Conjugates and Analytical Methods ACR, GUSB, CD44 TSHR 1627/4885ALDH1A1 20/4885HSD17B10 904/4885
US-20150177255-A1 NOVEL FLUORESCENT DYES, LABELED CONJUGATES AND ANALYTICAL METHODS ACR, GUSB, CD44 TSHR 1627/4885ALDH1A1 20/4885HSD17B10 904/4885

“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.