SCHEMBL1573556

SCHEMBL1573556

CCN(C=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PPIB P23284 1/20 0.39
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
IDO1 P14902 1/20 0.38
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL26130465 0.86 ALOX5 (0.40) TSHRALDH1A1BCHE
SCHEMBL8960248 0.83 TSHR (0.41) TSHRALDH1A1L3MBTL1IDO1CCNB2
SCHEMBL8392441 0.82 KCNH2 (0.41) CA1CA2CA9
SCHEMBL12762248 0.82 CETP (0.43) TSHRALDH1A1L3MBTL1BCHE
SCHEMBL9563424 0.81 TSHR (0.40) TSHRALDH1A1L3MBTL1IDO1LMNA
SCHEMBL1415749 0.81 TSHR (0.40) TSHRALDH1A1L3MBTL1IDO1LMNA
SCHEMBL8592588 0.81 ALDH1A1 (0.40) TSHRALDH1A1L3MBTL1IDO1LMNA
SCHEMBL9573261 0.80 GAA (0.39) TSHRALDH1A1PPIBPPIDPPIG
Hydrochloric Acid SCHEMBL28524418 0.80 AGXT (0.44) TSHRALDH1A1IDO1CCNB2CDK1
SCHEMBL6949217 0.80 TAAR1 (0.42) TSHRLTB4RLTB4R2IDO1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548005-B1 PROCESS FOR PRODUCING 2-SUBSTITUTED PYRIDINE DERIVATIVE KURARAY CO (JP) 2011-04-13 EP disclosed
US-7560563-B2 Process for producing 2-substituted pyridine derivative KURARAY CO., LTD. (JP) 2009-07-14 US disclosed
US-20060041142-A1 Process for producing 2-substituted pyridine derivative KURARAY CO., LTD. (JP) 2006-02-23 US disclosed
EP-1548005-A1 PROCESS FOR PRODUCING 2-SUBSTITUTED PYRIDINE DERIVATIVE Kuraray Co., Ltd. (JP) 2005-06-29 EP disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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-20060041142-A1 Process for producing 2-substituted pyridine derivative IDH2, IDH1, NDUFS5 TSHR 2290/4885ALDH1A1 950/4885PPIB 2151/4885

“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.