SCHEMBL3716616

SCHEMBL3716616

O=C(Cl)CC12CCC(CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.36
BPTF Q12830 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 2/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL1594749 0.86 ALDH1A1 (0.32) ALDH1A1GAABPTFMEN1KMT2A
SCHEMBL25245007 0.81
SCHEMBL189533 0.80 POLB (0.48) ALDH1A1KDM4EHPGDGAABPTF
SCHEMBL25909650 0.79 ALDH1A1 (0.57) ALDH1A1BPTFTSHRKMT2AP2RX7
SCHEMBL1074062 0.79 ALDH1A1 (0.57) ALDH1A1BPTFTSHRKMT2AP2RX7
SCHEMBL7412340 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAABPTF
SCHEMBL11577622 0.76 GAA (0.60) ALDH1A1GAATSHRPOLBMEN1
SCHEMBL7594583 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDGAABPTF
SCHEMBL418818 0.74 KDM4E (0.35) ALDH1A1KDM4EHPGDGAABPTF
SCHEMBL7082780 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010115869-A1 PROPOFOL PHOSPHONYL DERIVATIVES, SYNTHESIS, AND USE IN LONG ACTING FORMULATIONS SEPS PHARMA N.V. (BE) 2010-10-14 WO claimed
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-8779183-B2 Acid generating agent for chemically amplified resist compositions KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2014-07-15 US disclosed
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
WO-2010115869-A1 PROPOFOL PHOSPHONYL DERIVATIVES, SYNTHESIS, AND USE IN LONG ACTING FORMULATIONS SEPS PHARMA N.V. (BE) 2010-10-14 WO disclosed
US-20090234155-A1 Acid generating agent for chemically amplified resist compositions KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-09-17 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US disclosed
EP-1111466-A1 The chemical amplified resist composition containing norbornane type low molecular additive Korea Kumho Petrochemical Co. Ltd. (KR) 2001-06-27 EP disclosed
WO-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 WO 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 (4 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 ALDH1A1 557/4885KDM4E 4069/4885HPGD 472/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF ALDH1A1 930/4885KDM4E 4122/4885HPGD 394/4885
US-20090234155-A1 Acid generating agent for chemically amplified resist compositions POLM, CBR1, PFAS ALDH1A1 346/4885KDM4E 3728/4885HPGD 1917/4885
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 ALDH1A1 1031/4885KDM4E 680/4885HPGD 1570/4885

“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.